1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxy-N-methylethanamine;5-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;1-(1H-indol-4-yl)-N-methylmethanamine;2-methyl-1,3-dihydroisoindole;N-methyl-1-(2-methylpyrazol-3-yl)methanamine;N-methyl-3-(pyridin-4-ylmethyl)aniline;N-methyl-1-pyridin-2-ylpiperidin-4-amine;2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-N,2-N,5-N-trimethyl-2,3-dihydro-1H-indene-2,5-diamine;2,4,4-trimethyl-1,3-dihydroisoquinoline

C125H162ClF6N21O — CID 158099598

IUPAC1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxy-N-methylethanamine;5-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;1-(1H-indol-4-yl)-N-methylmethanamine;2-methyl-1,3-dihydroisoindole;N-methyl-1-(2-methylpyrazol-3-yl)methanamine;N-methyl-3-(pyridin-4-ylmethyl)aniline;N-methyl-1-pyridin-2-ylpiperidin-4-amine;2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-N,2-N,5-N-trimethyl-2,3-dihydro-1H-indene-2,5-diamine;2,4,4-trimethyl-1,3-dihydroisoquinoline
SMILESCN1CCc2c(F)cccc2C1.CN1CCc2c(cccc2C(F)(F)F)C1.CN1CCc2cc(F)ccc2C1.CN1CCc2cccc(F)c2C1.CN1Cc2ccccc2C(C)(C)C1.CN1Cc2ccccc2C1.CNC(COC)c1nc2ccc(Cl)cc2[nH]1.CNC1CCN(c2ccccn2)CC1.CNCc1cccc2[nH]ccc12.CNCc1ccnn1C.CNc1ccc2c(c1)CC(N(C)C)C2.CNc1cccc(Cc2ccncc2)c1
InChIInChI=1S/C13H14N2.C12H18N2.C12H17N.C11H14ClN3O.C11H12F3N.C11H17N3.3C10H12FN.C10H12N2.C9H11N.C6H11N3/c1-14-13-4-2-3-12(10-13)9-11-5-7-15-8-6-11;1-13-11-5-4-9-7-12(14(2)3)8-10(9)6-11;1-12(2)9-13(3)8-10-6-4-5-7-11(10)12;1-13-10(6-16-2)11-14-8-4-3-7(12)5-9(8)15-11;1-15-6-5-9-8(7-15)3-2-4-10(9)11(12,13)14;1-12-10-5-8-14(9-6-10)11-4-2-3-7-13-11;1-12-5-4-8-6-10(11)3-2-9(8)7-12;1-12-6-5-9-8(7-12)3-2-4-10(9)11;1-12-6-5-8-3-2-4-10(11)9(8)7-12;1-11-7-8-3-2-4-10-9(8)5-6-12-10;1-10-6-8-4-2-3-5-9(8)7-10;1-7-5-6-3-4-8-9(6)2/h2-8,10,14H,9H2,1H3;4-6,12-13H,7-8H2,1-3H3;4-7H,8-9H2,1-3H3;3-5,10,13H,6H2,1-2H3,(H,14,15);2-4H,5-7H2,1H3;2-4,7,10,12H,5-6,8-9H2,1H3;2-3,6H,4-5,7H2,1H3;2*2-4H,5-7H2,1H3;2-6,11-12H,7H2,1H3;2-5H,6-7H2,1H3;3-4,7H,5H2,1-2H3
InChIKeyFPCBSJMKURDAKT-UHFFFAOYSA-N
MW2124.26 g/mol
LogP22.07
Rot. Bonds15

About 1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxy-N-methylethanamine;5-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;1-(1H-indol-4-yl)-N-methylmethanamine;2-methyl-1,3-dihydroisoindole;N-methyl-1-(2-methylpyrazol-3-yl)methanamine;N-methyl-3-(pyridin-4-ylmethyl)aniline;N-methyl-1-pyridin-2-ylpiperidin-4-amine;2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-N,2-N,5-N-trimethyl-2,3-dihydro-1H-indene-2,5-diamine;2,4,4-trimethyl-1,3-dihydroisoquinoline

1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxy-N-methylethanamine;5-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;1-(1H-indol-4-yl)-N-methylmethanamine;2-methyl-1,3-dihydroisoindole;N-methyl-1-(2-methylpyrazol-3-yl)methanamine;N-methyl-3-(pyridin-4-ylmethyl)aniline;N-methyl-1-pyridin-2-ylpiperidin-4-amine;2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-N,2-N,5-N-trimethyl-2,3-dihydro-1H-indene-2,5-diamine;2,4,4-trimethyl-1,3-dihydroisoquinoline (PubChem CID 158099598) has the molecular formula C125H162ClF6N21O and a molecular weight of 2124.26 g/mol. Its IUPAC name is 1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxy-N-methylethanamine;5-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;1-(1H-indol-4-yl)-N-methylmethanamine;2-methyl-1,3-dihydroisoindole;N-methyl-1-(2-methylpyrazol-3-yl)methanamine;N-methyl-3-(pyridin-4-ylmethyl)aniline;N-methyl-1-pyridin-2-ylpiperidin-4-amine;2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-N,2-N,5-N-trimethyl-2,3-dihydro-1H-indene-2,5-diamine;2,4,4-trimethyl-1,3-dihydroisoquinoline.

Molecular Properties

Compound Name1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxy-N-methylethanamine;5-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;1-(1H-indol-4-yl)-N-methylmethanamine;2-methyl-1,3-dihydroisoindole;N-methyl-1-(2-methylpyrazol-3-yl)methanamine;N-methyl-3-(pyridin-4-ylmethyl)aniline;N-methyl-1-pyridin-2-ylpiperidin-4-amine;2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-N,2-N,5-N-trimethyl-2,3-dihydro-1H-indene-2,5-diamine;2,4,4-trimethyl-1,3-dihydroisoquinoline
PubChem CID158099598
Molecular FormulaC125H162ClF6N21O
Molecular Weight2124.26 g/mol
Exact Mass2122.29
IUPAC Name1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxy-N-methylethanamine;5-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;1-(1H-indol-4-yl)-N-methylmethanamine;2-methyl-1,3-dihydroisoindole;N-methyl-1-(2-methylpyrazol-3-yl)methanamine;N-methyl-3-(pyridin-4-ylmethyl)aniline;N-methyl-1-pyridin-2-ylpiperidin-4-amine;2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-N,2-N,5-N-trimethyl-2,3-dihydro-1H-indene-2,5-diamine;2,4,4-trimethyl-1,3-dihydroisoquinoline
SMILESCN1CCc2c(F)cccc2C1.CN1CCc2c(cccc2C(F)(F)F)C1.CN1CCc2cc(F)ccc2C1.CN1CCc2cccc(F)c2C1.CN1Cc2ccccc2C(C)(C)C1.CN1Cc2ccccc2C1.CNC(COC)c1nc2ccc(Cl)cc2[nH]1.CNC1CCN(c2ccccn2)CC1.CNCc1cccc2[nH]ccc12.CNCc1ccnn1C.CNc1ccc2c(c1)CC(N(C)C)C2.CNc1cccc(Cc2ccncc2)c1
InChIInChI=1S/C13H14N2.C12H18N2.C12H17N.C11H14ClN3O.C11H12F3N.C11H17N3.3C10H12FN.C10H12N2.C9H11N.C6H11N3/c1-14-13-4-2-3-12(10-13)9-11-5-7-15-8-6-11;1-13-11-5-4-9-7-12(14(2)3)8-10(9)6-11;1-12(2)9-13(3)8-10-6-4-5-7-11(10)12;1-13-10(6-16-2)11-14-8-4-3-7(12)5-9(8)15-11;1-15-6-5-9-8(7-15)3-2-4-10(9)11(12,13)14;1-12-10-5-8-14(9-6-10)11-4-2-3-7-13-11;1-12-5-4-8-6-10(11)3-2-9(8)7-12;1-12-6-5-9-8(7-12)3-2-4-10(9)11;1-12-6-5-8-3-2-4-10(11)9(8)7-12;1-11-7-8-3-2-4-10-9(8)5-6-12-10;1-10-6-8-4-2-3-5-9(8)7-10;1-7-5-6-3-4-8-9(6)2/h2-8,10,14H,9H2,1H3;4-6,12-13H,7-8H2,1-3H3;4-7H,8-9H2,1-3H3;3-5,10,13H,6H2,1-2H3,(H,14,15);2-4H,5-7H2,1H3;2-4,7,10,12H,5-6,8-9H2,1H3;2-3,6H,4-5,7H2,1H3;2*2-4H,5-7H2,1H3;2-6,11-12H,7H2,1H3;2-5H,6-7H2,1H3;3-4,7H,5H2,1-2H3
InChIKeyFPCBSJMKURDAKT-UHFFFAOYSA-N
XLogP22.07
TPSA195.40 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002124.26
LogP ≤ 522.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxy-N-methylethanamine;5-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;1-(1H-indol-4-yl)-N-methylmethanamine;2-methyl-1,3-dihydroisoindole;N-methyl-1-(2-methylpyrazol-3-yl)methanamine;N-methyl-3-(pyridin-4-ylmethyl)aniline;N-methyl-1-pyridin-2-ylpiperidin-4-amine;2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-N,2-N,5-N-trimethyl-2,3-dihydro-1H-indene-2,5-diamine;2,4,4-trimethyl-1,3-dihydroisoquinoline with MolForge

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Related Compounds

1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxy-N-methylethanamine;5-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;1-(1H-indol-4-yl)-N-methylmethanamine;methane;2-methyl-1,3-dihydroisoindole;N-methyl-3-(pyridin-4-ylmethyl)aniline;N-methyl-1-pyridin-2-ylpiperidin-4-amine;2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-N,2-N,5-N-trimethyl-2,3-dihydro-1H-indene-2,5-diamine;2,4,4-trimethyl-1,3-dihydroisoquinoline
CID 158816252
3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 158828415
N-(6-chloro-3-pyridinyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-methoxy-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 159631202
2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;3-methyl-1H-imidazol-3-ium;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)
CID 160764434
1-chloro-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-N,1-N-diethyl-3-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-[2-(1,1-difluoroethyl)piperidin-1-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-N-(2-methoxyethyl)-1-N,3-dimethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)imidazo[2,1-a]isoquinoline
CID 161519560
CID 161666692
CID 161666692
1-[4-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-5-fluoro-N-methylbenzimidazol-2-amine;(3R)-4-[6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-5-fluorobenzimidazol-2-amine;5-fluoro-N-methyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]benzimidazol-2-amine
CID 167620703
3-tert-butyl-6-chloroimidazo[1,2-a]pyridine;6-tert-butyl-5-chloro-1H-indole;3-tert-butyl-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine;3-tert-butyl-2-(difluoromethyl)imidazo[1,2-a]pyridine;3-tert-butyl-2,7-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-7-fluoroimidazo[1,2-a]pyridine;5-tert-butyl-4-fluoro-1H-pyrrolo[2,3-b]pyridine;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-7-methylimidazo[1,2-a]pyridine;5-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-3-methylimidazo[1,2-a]pyridine;6-tert-butyl-2-methylimidazo[1,2-a]pyridine;6-tert-butyl-3-methylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylindazole;5-tert-butyl-7-methyl-1H-indazole;4-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-4-methyl-1H-pyrrolo[2,3-b]pyridine
CID 168386471
N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(1H-imidazol-3-ium-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172954605
N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(2-chloro-4-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172955407
N-[(E)-[5-(2-chloro-4-pyrazol-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[2-methyl-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-pyrazol-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172956101
5-chloro-2-N-[5-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1H-imidazol-2-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2-fluoro-5-methyl-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 173050590

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxy-N-methylethanamine;5-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;1-(1H-indol-4-yl)-N-methylmethanamine;2-methyl-1,3-dihydroisoindole;N-methyl-1-(2-methylpyrazol-3-yl)methanamine;N-methyl-3-(pyridin-4-ylmethyl)aniline;N-methyl-1-pyridin-2-ylpiperidin-4-amine;2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-N,2-N,5-N-trimethyl-2,3-dihydro-1H-indene-2,5-diamine;2,4,4-trimethyl-1,3-dihydroisoquinoline?
The IUPAC name of 1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxy-N-methylethanamine;5-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;1-(1H-indol-4-yl)-N-methylmethanamine;2-methyl-1,3-dihydroisoindole;N-methyl-1-(2-methylpyrazol-3-yl)methanamine;N-methyl-3-(pyridin-4-ylmethyl)aniline;N-methyl-1-pyridin-2-ylpiperidin-4-amine;2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-N,2-N,5-N-trimethyl-2,3-dihydro-1H-indene-2,5-diamine;2,4,4-trimethyl-1,3-dihydroisoquinoline (CID 158099598) is 1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxy-N-methylethanamine;5-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;1-(1H-indol-4-yl)-N-methylmethanamine;2-methyl-1,3-dihydroisoindole;N-methyl-1-(2-methylpyrazol-3-yl)methanamine;N-methyl-3-(pyridin-4-ylmethyl)aniline;N-methyl-1-pyridin-2-ylpiperidin-4-amine;2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-N,2-N,5-N-trimethyl-2,3-dihydro-1H-indene-2,5-diamine;2,4,4-trimethyl-1,3-dihydroisoquinoline.
What is the SMILES notation for 1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxy-N-methylethanamine;5-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;1-(1H-indol-4-yl)-N-methylmethanamine;2-methyl-1,3-dihydroisoindole;N-methyl-1-(2-methylpyrazol-3-yl)methanamine;N-methyl-3-(pyridin-4-ylmethyl)aniline;N-methyl-1-pyridin-2-ylpiperidin-4-amine;2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-N,2-N,5-N-trimethyl-2,3-dihydro-1H-indene-2,5-diamine;2,4,4-trimethyl-1,3-dihydroisoquinoline?
The canonical SMILES for 1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxy-N-methylethanamine;5-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;1-(1H-indol-4-yl)-N-methylmethanamine;2-methyl-1,3-dihydroisoindole;N-methyl-1-(2-methylpyrazol-3-yl)methanamine;N-methyl-3-(pyridin-4-ylmethyl)aniline;N-methyl-1-pyridin-2-ylpiperidin-4-amine;2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-N,2-N,5-N-trimethyl-2,3-dihydro-1H-indene-2,5-diamine;2,4,4-trimethyl-1,3-dihydroisoquinoline is CN1CCc2c(F)cccc2C1.CN1CCc2c(cccc2C(F)(F)F)C1.CN1CCc2cc(F)ccc2C1.CN1CCc2cccc(F)c2C1.CN1Cc2ccccc2C(C)(C)C1.CN1Cc2ccccc2C1.CNC(COC)c1nc2ccc(Cl)cc2[nH]1.CNC1CCN(c2ccccn2)CC1.CNCc1cccc2[nH]ccc12.CNCc1ccnn1C.CNc1ccc2c(c1)CC(N(C)C)C2.CNc1cccc(Cc2ccncc2)c1.
What is the InChIKey of 1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxy-N-methylethanamine;5-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;1-(1H-indol-4-yl)-N-methylmethanamine;2-methyl-1,3-dihydroisoindole;N-methyl-1-(2-methylpyrazol-3-yl)methanamine;N-methyl-3-(pyridin-4-ylmethyl)aniline;N-methyl-1-pyridin-2-ylpiperidin-4-amine;2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-N,2-N,5-N-trimethyl-2,3-dihydro-1H-indene-2,5-diamine;2,4,4-trimethyl-1,3-dihydroisoquinoline?
The InChIKey is FPCBSJMKURDAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.C12H18N2.C12H17N.C11H14ClN3O.C11H12F3N.C11H17N3.3C10H12FN.C10H12N2.C9H11N.C6H11N3/c1-14-13-4-2-3-12(10-13)9-11-5-7-15-8-6-11;1-13-11-5-4-9-7-12(14(2)3)8-10(9)6-11;1-12(2)9-13(3)8-10-6-4-5-7-11(10)12;1-13-10(6-16-2)11-14-8-4-3-7(12)5-9(8)15-11;1-15-6-5-9-8(7-15)3-2-4-10(9)11(12,13)14;1-12-10-5-8-14(9-6-10)11-4-2-3-7-13-11;1-12-5-4-8-6-10(11)3-2-9(8)7-12;1-12-6-5-9-8(7-12)3-2-4-10(9)11;1-12-6-5-8-3-2-4-10(11)9(8)7-12;1-11-7-8-3-2-4-10-9(8)5-6-12-10;1-10-6-8-4-2-3-5-9(8)7-10;1-7-5-6-3-4-8-9(6)2/h2-8,10,14H,9H2,1H3;4-6,12-13H,7-8H2,1-3H3;4-7H,8-9H2,1-3H3;3-5,10,13H,6H2,1-2H3,(H,14,15);2-4H,5-7H2,1H3;2-4,7,10,12H,5-6,8-9H2,1H3;2-3,6H,4-5,7H2,1H3;2*2-4H,5-7H2,1H3;2-6,11-12H,7H2,1H3;2-5H,6-7H2,1H3;3-4,7H,5H2,1-2H3.
What are the key properties of 1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxy-N-methylethanamine;5-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;1-(1H-indol-4-yl)-N-methylmethanamine;2-methyl-1,3-dihydroisoindole;N-methyl-1-(2-methylpyrazol-3-yl)methanamine;N-methyl-3-(pyridin-4-ylmethyl)aniline;N-methyl-1-pyridin-2-ylpiperidin-4-amine;2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-N,2-N,5-N-trimethyl-2,3-dihydro-1H-indene-2,5-diamine;2,4,4-trimethyl-1,3-dihydroisoquinoline?
1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxy-N-methylethanamine;5-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;1-(1H-indol-4-yl)-N-methylmethanamine;2-methyl-1,3-dihydroisoindole;N-methyl-1-(2-methylpyrazol-3-yl)methanamine;N-methyl-3-(pyridin-4-ylmethyl)aniline;N-methyl-1-pyridin-2-ylpiperidin-4-amine;2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-N,2-N,5-N-trimethyl-2,3-dihydro-1H-indene-2,5-diamine;2,4,4-trimethyl-1,3-dihydroisoquinoline has a molecular weight of 2124.26 g/mol, XLogP of 22.07, 15 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxy-N-methylethanamine;5-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;1-(1H-indol-4-yl)-N-methylmethanamine;2-methyl-1,3-dihydroisoindole;N-methyl-1-(2-methylpyrazol-3-yl)methanamine;N-methyl-3-(pyridin-4-ylmethyl)aniline;N-methyl-1-pyridin-2-ylpiperidin-4-amine;2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-N,2-N,5-N-trimethyl-2,3-dihydro-1H-indene-2,5-diamine;2,4,4-trimethyl-1,3-dihydroisoquinoline is sourced from PubChem (CID 158099598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).