2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;[(1S)-2,2-dimethyl-1-phenylpropyl] acetate;[(1R)-2,2-dimethyl-1-phenylpropyl] acetate;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine

C206H305Cl2F3N14O13S2 — CID 162110612

IUPAC2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;[(1S)-2,2-dimethyl-1-phenylpropyl] acetate;[(1R)-2,2-dimethyl-1-phenylpropyl] acetate;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine
SMILESCC(=O)N[C@H](c1ccccc1)C(C)(C)C.CC(=O)O[C@@H](c1ccccc1)C(C)(C)C.CC(=O)O[C@H](c1ccccc1)C(C)(C)C.CC(C)(C)C(=O)c1ccccc1.CC(C)(C)C(O)c1c[nH]c2ncccc12.CC(C)(C)C(O)c1ccccn1.CC(C)(C)C(O)c1cnc2ccccn12.CC(C)(C)C(O)c1nccs1.CC(C)(C)Cc1cccs1.CC(C)(C)[C@H](O)c1ccccc1Cl.CN(C)C(c1ccc(F)cc1F)C(C)(C)C.CN(C)C(c1ccccc1F)C(C)(C)C.CN(C)CC(Oc1ccc(Cl)cc1)C(C)(C)C.CN(C)[C@@H](c1ccccc1)C(C)(C)C.CN(C)[C@H](c1ccccc1)C(C)(C)C.CN1CCN(C(c2ccccc2)C(C)(C)C)CC1.CO[C@H](c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H26N2.C14H22ClNO.C13H19F2N.C13H20FN.C13H19NO.2C13H21N.2C13H18O2.2C12H16N2O.C12H18O.C11H15ClO.C11H14O.C10H15NO.C9H14S.C8H13NOS/c1-16(2,3)15(14-8-6-5-7-9-14)18-12-10-17(4)11-13-18;1-14(2,3)13(10-16(4)5)17-12-8-6-11(15)7-9-12;1-13(2,3)12(16(4)5)10-7-6-9(14)8-11(10)15;1-13(2,3)12(15(4)5)10-8-6-7-9-11(10)14;1-10(15)14-12(13(2,3)4)11-8-6-5-7-9-11;2*1-13(2,3)12(14(4)5)11-9-7-6-8-10-11;2*1-10(14)15-12(13(2,3)4)11-8-6-5-7-9-11;1-12(2,3)10(15)9-7-14-11-8(9)5-4-6-13-11;1-12(2,3)11(15)9-8-13-10-6-4-5-7-14(9)10;1-12(2,3)11(13-4)10-8-6-5-7-9-10;1-11(2,3)10(13)8-6-4-5-7-9(8)12;1-11(2,3)10(12)9-7-5-4-6-8-9;1-10(2,3)9(12)8-6-4-5-7-11-8;1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)6(10)7-9-4-5-11-7/h5-9,15H,10-13H2,1-4H3;6-9,13H,10H2,1-5H3;6-8,12H,1-5H3;6-9,12H,1-5H3;5-9,12H,1-4H3,(H,14,15);2*6-10,12H,1-5H3;2*5-9,12H,1-4H3;4-7,10,15H,1-3H3,(H,13,14);4-8,11,15H,1-3H3;5-9,11H,1-4H3;4-7,10,13H,1-3H3;4-8H,1-3H3;4-7,9,12H,1-3H3;4-6H,7H2,1-3H3;4-6,10H,1-3H3/t;;;;5*12-;;;11-;10-;;;;/m....11010..11..../s1
InChIKeyZGCHXOKQVPCNED-PJDQOCPUSA-N
MW3377.82 g/mol
LogP52.59
Rot. Bonds29

About 2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;[(1S)-2,2-dimethyl-1-phenylpropyl] acetate;[(1R)-2,2-dimethyl-1-phenylpropyl] acetate;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine

2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;[(1S)-2,2-dimethyl-1-phenylpropyl] acetate;[(1R)-2,2-dimethyl-1-phenylpropyl] acetate;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine (PubChem CID 162110612) has the molecular formula C206H305Cl2F3N14O13S2 and a molecular weight of 3377.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;[(1S)-2,2-dimethyl-1-phenylpropyl] acetate;[(1R)-2,2-dimethyl-1-phenylpropyl] acetate;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;[(1S)-2,2-dimethyl-1-phenylpropyl] acetate;[(1R)-2,2-dimethyl-1-phenylpropyl] acetate;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine
PubChem CID162110612
Molecular FormulaC206H305Cl2F3N14O13S2
Molecular Weight3377.82 g/mol
Exact Mass3374.24
IUPAC Name2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;[(1S)-2,2-dimethyl-1-phenylpropyl] acetate;[(1R)-2,2-dimethyl-1-phenylpropyl] acetate;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine
SMILESCC(=O)N[C@H](c1ccccc1)C(C)(C)C.CC(=O)O[C@@H](c1ccccc1)C(C)(C)C.CC(=O)O[C@H](c1ccccc1)C(C)(C)C.CC(C)(C)C(=O)c1ccccc1.CC(C)(C)C(O)c1c[nH]c2ncccc12.CC(C)(C)C(O)c1ccccn1.CC(C)(C)C(O)c1cnc2ccccn12.CC(C)(C)C(O)c1nccs1.CC(C)(C)Cc1cccs1.CC(C)(C)[C@H](O)c1ccccc1Cl.CN(C)C(c1ccc(F)cc1F)C(C)(C)C.CN(C)C(c1ccccc1F)C(C)(C)C.CN(C)CC(Oc1ccc(Cl)cc1)C(C)(C)C.CN(C)[C@@H](c1ccccc1)C(C)(C)C.CN(C)[C@H](c1ccccc1)C(C)(C)C.CN1CCN(C(c2ccccc2)C(C)(C)C)CC1.CO[C@H](c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H26N2.C14H22ClNO.C13H19F2N.C13H20FN.C13H19NO.2C13H21N.2C13H18O2.2C12H16N2O.C12H18O.C11H15ClO.C11H14O.C10H15NO.C9H14S.C8H13NOS/c1-16(2,3)15(14-8-6-5-7-9-14)18-12-10-17(4)11-13-18;1-14(2,3)13(10-16(4)5)17-12-8-6-11(15)7-9-12;1-13(2,3)12(16(4)5)10-7-6-9(14)8-11(10)15;1-13(2,3)12(15(4)5)10-8-6-7-9-11(10)14;1-10(15)14-12(13(2,3)4)11-8-6-5-7-9-11;2*1-13(2,3)12(14(4)5)11-9-7-6-8-10-11;2*1-10(14)15-12(13(2,3)4)11-8-6-5-7-9-11;1-12(2,3)10(15)9-7-14-11-8(9)5-4-6-13-11;1-12(2,3)11(15)9-8-13-10-6-4-5-7-14(9)10;1-12(2,3)11(13-4)10-8-6-5-7-9-10;1-11(2,3)10(13)8-6-4-5-7-9(8)12;1-11(2,3)10(12)9-7-5-4-6-8-9;1-10(2,3)9(12)8-6-4-5-7-11-8;1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)6(10)7-9-4-5-11-7/h5-9,15H,10-13H2,1-4H3;6-9,13H,10H2,1-5H3;6-8,12H,1-5H3;6-9,12H,1-5H3;5-9,12H,1-4H3,(H,14,15);2*6-10,12H,1-5H3;2*5-9,12H,1-4H3;4-7,10,15H,1-3H3,(H,13,14);4-8,11,15H,1-3H3;5-9,11H,1-4H3;4-7,10,13H,1-3H3;4-8H,1-3H3;4-7,9,12H,1-3H3;4-6H,7H2,1-3H3;4-6,10H,1-3H3/t;;;;5*12-;;;11-;10-;;;;/m....11010..11..../s1
InChIKeyZGCHXOKQVPCNED-PJDQOCPUSA-N
XLogP52.59
TPSA312.82 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds29
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003377.82
LogP ≤ 552.59
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Analyze 2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;[(1S)-2,2-dimethyl-1-phenylpropyl] acetate;[(1R)-2,2-dimethyl-1-phenylpropyl] acetate;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine with MolForge

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Related Compounds

N-[(2S)-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)-2-fluorophenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)-2-pyridinyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]propan-2-yl]-4-propan-2-yloxybenzamide
CID 89499605
3-[[6-[(8aS)-7-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]-3-pyridinyl]oxy]-4-fluorobenzoic acid;methyl (4R)-6-[[(8aS)-2-[4-(4-acetyl-2-fluorophenyl)-1,3-thiazol-2-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]methyl]-4-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
CID 157199627
2-[4-[[5-[(8aS)-7-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]-2-pyridinyl]oxy]-3-fluorophenyl]-2-methylpropanoic acid;2-[4-[[6-[(8aS)-7-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]-3-pyridinyl]oxy]-3-fluorophenyl]-2-methylpropanoic acid
CID 157437259
4-[[2-[(8aS)-7-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]-4-pyridinyl]oxy]-3-fluorobenzoic acid;4-[[5-[(8aS)-7-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]-3-pyridinyl]oxy]-3-fluorobenzoic acid
CID 158084325
5-tert-butyl-5-methylpyrrolidin-2-one;carbon dioxide;2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-ol;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(5-ethyl-1H-pyrrol-3-yl)-2,2-dimethylpropan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-[5-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydroindol-1-yl]ethanone;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;1-(1H-imidazo[1,2-a]pyrimidin-4-ium-3-yl)-2,2-dimethylpropan-1-ol;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine
CID 158922182
2-tert-butyl-2-methyl-5-methylidenepyrrolidine;carbon dioxide;2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-ol;2,2-dimethyl-1-phenylpropan-1-one;1-(2,2-dimethylpropyl)-5,6-difluoro-3-propan-2-yl-2H-benzimidazole;3-(2,2-dimethylpropyl)pyridine;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol;2,2-dimethyl-1-(1H-pyrrolo[2,3-c]pyridin-3-yl)propan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(5-ethyl-1H-pyrrol-3-yl)-2,2-dimethylpropan-1-ol;1-[5-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydroindol-1-yl]ethanone;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol
CID 159351020
2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;3,3-dimethyl-2-phenylbutan-2-ol;2,2-dimethyl-1-phenylpropan-1-ol;N-(2,2-dimethyl-1-phenylpropyl)acetamide;(2,2-dimethyl-1-phenylpropyl) acetate;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2,2-dimethylpropylcyclopentane;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;(1-methoxy-2,2-dimethylpropyl)benzene;N,N,2,2-tetramethyl-1-phenylpropan-1-amine
CID 160395904
2-tert-butyl-2-methyl-5-methylidenepyrrolidine;2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-ol;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;[(1R)-2,2-dimethyl-1-phenylpropyl] acetate;[(1S)-2,2-dimethyl-1-phenylpropyl] acetate;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine
CID 160770066

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;[(1S)-2,2-dimethyl-1-phenylpropyl] acetate;[(1R)-2,2-dimethyl-1-phenylpropyl] acetate;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine?
The IUPAC name of 2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;[(1S)-2,2-dimethyl-1-phenylpropyl] acetate;[(1R)-2,2-dimethyl-1-phenylpropyl] acetate;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine (CID 162110612) is 2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;[(1S)-2,2-dimethyl-1-phenylpropyl] acetate;[(1R)-2,2-dimethyl-1-phenylpropyl] acetate;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine.
What is the SMILES notation for 2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;[(1S)-2,2-dimethyl-1-phenylpropyl] acetate;[(1R)-2,2-dimethyl-1-phenylpropyl] acetate;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine?
The canonical SMILES for 2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;[(1S)-2,2-dimethyl-1-phenylpropyl] acetate;[(1R)-2,2-dimethyl-1-phenylpropyl] acetate;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine is CC(=O)N[C@H](c1ccccc1)C(C)(C)C.CC(=O)O[C@@H](c1ccccc1)C(C)(C)C.CC(=O)O[C@H](c1ccccc1)C(C)(C)C.CC(C)(C)C(=O)c1ccccc1.CC(C)(C)C(O)c1c[nH]c2ncccc12.CC(C)(C)C(O)c1ccccn1.CC(C)(C)C(O)c1cnc2ccccn12.CC(C)(C)C(O)c1nccs1.CC(C)(C)Cc1cccs1.CC(C)(C)[C@H](O)c1ccccc1Cl.CN(C)C(c1ccc(F)cc1F)C(C)(C)C.CN(C)C(c1ccccc1F)C(C)(C)C.CN(C)CC(Oc1ccc(Cl)cc1)C(C)(C)C.CN(C)[C@@H](c1ccccc1)C(C)(C)C.CN(C)[C@H](c1ccccc1)C(C)(C)C.CN1CCN(C(c2ccccc2)C(C)(C)C)CC1.CO[C@H](c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;[(1S)-2,2-dimethyl-1-phenylpropyl] acetate;[(1R)-2,2-dimethyl-1-phenylpropyl] acetate;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine?
The InChIKey is ZGCHXOKQVPCNED-PJDQOCPUSA-N. The full InChI is InChI=1S/C16H26N2.C14H22ClNO.C13H19F2N.C13H20FN.C13H19NO.2C13H21N.2C13H18O2.2C12H16N2O.C12H18O.C11H15ClO.C11H14O.C10H15NO.C9H14S.C8H13NOS/c1-16(2,3)15(14-8-6-5-7-9-14)18-12-10-17(4)11-13-18;1-14(2,3)13(10-16(4)5)17-12-8-6-11(15)7-9-12;1-13(2,3)12(16(4)5)10-7-6-9(14)8-11(10)15;1-13(2,3)12(15(4)5)10-8-6-7-9-11(10)14;1-10(15)14-12(13(2,3)4)11-8-6-5-7-9-11;2*1-13(2,3)12(14(4)5)11-9-7-6-8-10-11;2*1-10(14)15-12(13(2,3)4)11-8-6-5-7-9-11;1-12(2,3)10(15)9-7-14-11-8(9)5-4-6-13-11;1-12(2,3)11(15)9-8-13-10-6-4-5-7-14(9)10;1-12(2,3)11(13-4)10-8-6-5-7-9-10;1-11(2,3)10(13)8-6-4-5-7-9(8)12;1-11(2,3)10(12)9-7-5-4-6-8-9;1-10(2,3)9(12)8-6-4-5-7-11-8;1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)6(10)7-9-4-5-11-7/h5-9,15H,10-13H2,1-4H3;6-9,13H,10H2,1-5H3;6-8,12H,1-5H3;6-9,12H,1-5H3;5-9,12H,1-4H3,(H,14,15);2*6-10,12H,1-5H3;2*5-9,12H,1-4H3;4-7,10,15H,1-3H3,(H,13,14);4-8,11,15H,1-3H3;5-9,11H,1-4H3;4-7,10,13H,1-3H3;4-8H,1-3H3;4-7,9,12H,1-3H3;4-6H,7H2,1-3H3;4-6,10H,1-3H3/t;;;;5*12-;;;11-;10-;;;;/m....11010..11..../s1.
What are the key properties of 2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;[(1S)-2,2-dimethyl-1-phenylpropyl] acetate;[(1R)-2,2-dimethyl-1-phenylpropyl] acetate;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine?
2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;[(1S)-2,2-dimethyl-1-phenylpropyl] acetate;[(1R)-2,2-dimethyl-1-phenylpropyl] acetate;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine has a molecular weight of 3377.82 g/mol, XLogP of 52.59, 29 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;[(1S)-2,2-dimethyl-1-phenylpropyl] acetate;[(1R)-2,2-dimethyl-1-phenylpropyl] acetate;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 162110612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).