2-chloro-4-propan-2-ylpyridine;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;(4-propan-2-yl-2-pyridinyl)methanol

C167H248ClF2N11O10 — CID 159097666

IUPAC2-chloro-4-propan-2-ylpyridine;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;(4-propan-2-yl-2-pyridinyl)methanol
SMILESCC(C)c1ccc(CNCCN2CCOCC2)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(OCCCN(C)C)cc1.CC(C)c1ccc(OCCCN2CCOCC2)cc1.CC(C)c1cccc(CN(C)C)c1.CC(C)c1cccc(CO)c1.CC(C)c1cccc(F)c1.CC(C)c1ccnc(CO)c1.CC(C)c1ccnc(Cl)c1.CC(C)c1ccnc(N)c1.COCCCOc1ccc(C(C)C)cc1.COCCNCc1ccc(C(C)C)cc1.COCc1cccc(C(C)C)c1.Cc1cc(C(C)C)ccn1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C16H26N2O.C16H25NO2.C14H23NO.C13H21NO.C13H20O2.C12H19N.C11H16O.C10H14O.C10H14.2C9H11F.C9H13NO.C9H13N.C8H10ClN.C8H12N2/c1-14(2)16-5-3-15(4-6-16)13-17-7-8-18-9-11-19-12-10-18;1-14(2)15-4-6-16(7-5-15)19-11-3-8-17-9-12-18-13-10-17;1-12(2)13-6-8-14(9-7-13)16-11-5-10-15(3)4;1-11(2)13-6-4-12(5-7-13)10-14-8-9-15-3;1-11(2)12-5-7-13(8-6-12)15-10-4-9-14-3;1-10(2)12-7-5-6-11(8-12)9-13(3)4;1-9(2)11-6-4-5-10(7-11)8-12-3;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-3-4-10-9(5-8)6-11;1-7(2)9-4-5-10-8(3)6-9;2*1-6(2)7-3-4-10-8(9)5-7/h3-6,14,17H,7-13H2,1-2H3;4-7,14H,3,8-13H2,1-2H3;6-9,12H,5,10-11H2,1-4H3;4-7,11,14H,8-10H2,1-3H3;5-8,11H,4,9-10H2,1-3H3;5-8,10H,9H2,1-4H3;4-7,9H,8H2,1-3H3;3-6,8,11H,7H2,1-2H3;4-8H,1-3H3;2*3-7H,1-2H3;3-5,7,11H,6H2,1-2H3;4-7H,1-3H3;3-6H,1-2H3;3-6H,1-2H3,(H2,9,10)
InChIKeyKCWJJLRVPPFWTB-UHFFFAOYSA-N
MW2643.34 g/mol
LogP40.06
Rot. Bonds46

About 2-chloro-4-propan-2-ylpyridine;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;(4-propan-2-yl-2-pyridinyl)methanol

2-chloro-4-propan-2-ylpyridine;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;(4-propan-2-yl-2-pyridinyl)methanol (PubChem CID 159097666) has the molecular formula C167H248ClF2N11O10 and a molecular weight of 2643.34 g/mol. Its IUPAC name is 2-chloro-4-propan-2-ylpyridine;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;(4-propan-2-yl-2-pyridinyl)methanol.

Molecular Properties

Compound Name2-chloro-4-propan-2-ylpyridine;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;(4-propan-2-yl-2-pyridinyl)methanol
PubChem CID159097666
Molecular FormulaC167H248ClF2N11O10
Molecular Weight2643.34 g/mol
Exact Mass2640.89
IUPAC Name2-chloro-4-propan-2-ylpyridine;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;(4-propan-2-yl-2-pyridinyl)methanol
SMILESCC(C)c1ccc(CNCCN2CCOCC2)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(OCCCN(C)C)cc1.CC(C)c1ccc(OCCCN2CCOCC2)cc1.CC(C)c1cccc(CN(C)C)c1.CC(C)c1cccc(CO)c1.CC(C)c1cccc(F)c1.CC(C)c1ccnc(CO)c1.CC(C)c1ccnc(Cl)c1.CC(C)c1ccnc(N)c1.COCCCOc1ccc(C(C)C)cc1.COCCNCc1ccc(C(C)C)cc1.COCc1cccc(C(C)C)c1.Cc1cc(C(C)C)ccn1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C16H26N2O.C16H25NO2.C14H23NO.C13H21NO.C13H20O2.C12H19N.C11H16O.C10H14O.C10H14.2C9H11F.C9H13NO.C9H13N.C8H10ClN.C8H12N2/c1-14(2)16-5-3-15(4-6-16)13-17-7-8-18-9-11-19-12-10-18;1-14(2)15-4-6-16(7-5-15)19-11-3-8-17-9-12-18-13-10-17;1-12(2)13-6-8-14(9-7-13)16-11-5-10-15(3)4;1-11(2)13-6-4-12(5-7-13)10-14-8-9-15-3;1-11(2)12-5-7-13(8-6-12)15-10-4-9-14-3;1-10(2)12-7-5-6-11(8-12)9-13(3)4;1-9(2)11-6-4-5-10(7-11)8-12-3;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-3-4-10-9(5-8)6-11;1-7(2)9-4-5-10-8(3)6-9;2*1-6(2)7-3-4-10-8(9)5-7/h3-6,14,17H,7-13H2,1-2H3;4-7,14H,3,8-13H2,1-2H3;6-9,12H,5,10-11H2,1-4H3;4-7,11,14H,8-10H2,1-3H3;5-8,11H,4,9-10H2,1-3H3;5-8,10H,9H2,1-4H3;4-7,9H,8H2,1-3H3;3-6,8,11H,7H2,1-2H3;4-8H,1-3H3;2*3-7H,1-2H3;3-5,7,11H,6H2,1-2H3;4-7H,1-3H3;3-6H,1-2H3;3-6H,1-2H3,(H2,9,10)
InChIKeyKCWJJLRVPPFWTB-UHFFFAOYSA-N
XLogP40.06
TPSA228.90 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds46
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002643.34
LogP ≤ 540.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-4-propan-2-ylpyridine;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;(4-propan-2-yl-2-pyridinyl)methanol with MolForge

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Launch Full Analysis

Related Compounds

5-Chloro-4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-fluoropyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-5-fluoro-2-methoxypyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]pyridine;1-[4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-pyridinyl]-4-methylpiperazine
CID 159347079
2-chloro-5-(trifluoromethyl)pyridine;deuterio(fluoro)methane;methanol;2-[2-[(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methanamine;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 167706262
(2S)-1-N-[5-(4-chloro-3-fluorophenyl)-6-pyridin-4-yl-2-pyridinyl]-3-phenylpropane-1,2-diamine;(2S)-1-N-[5-(4-methoxyphenyl)-6-pyridin-4-yl-2-pyridinyl]-3-phenylpropane-1,2-diamine
CID 70282012
1-N-[5-(4-chloro-3-fluorophenyl)-6-pyridin-4-yl-2-pyridinyl]-3-phenylpropane-1,2-diamine;1-N-[5-(4-methoxyphenyl)-6-pyridin-4-yl-2-pyridinyl]-3-phenylpropane-1,2-diamine
CID 70282014
4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[5-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylpyridin-4-amine
CID 157159248
2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-2-pyridinyl)methanol
CID 157278524
4-[(2-Amino-3-pyridinyl)-(4-hydroxyphenyl)methyl]phenol;2-benzhydrylpyridine;2-[bis(4-chlorophenyl)methyl]pyridine;4-[(4-hydroxyphenyl)-phenylmethyl]phenol;4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenol;[4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate
CID 158574206
[5-[6-Amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]methanol;[6-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-pyridinyl]methanol;4-[5-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-4-ol;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-(2-piperidin-4-ylethoxy)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(6-piperidin-4-yloxy-3-pyridinyl)pyridin-2-amine
CID 158575845
1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;5-(2-ethylbutyl)-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;2-pentan-3-yl-6-propan-2-ylpyridine;2-propan-2-yl-6-(propan-2-yloxymethyl)pyridine;2-propan-2-yl-6-propan-2-yloxypyridine;4-propan-2-ylpyridine
CID 158595641
1-cyclopropyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]methanamine;N,N-dimethyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(fluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanamine;4-[4-[6-(2-methylpropoxy)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol;4-[4-[6-(piperidin-1-ylmethyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
CID 159199086
4-[2-[4-[5-[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenyl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyridinyl]-1,8-naphthyridine;2-(2,5-difluorophenyl)-4-[5-[3-(2-piperazin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine
CID 159589201
4-chloro-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;5,7-difluoro-N-[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine;5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-ylpyridin-4-amine
CID 159629113

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-propan-2-ylpyridine;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;(4-propan-2-yl-2-pyridinyl)methanol?
The IUPAC name of 2-chloro-4-propan-2-ylpyridine;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;(4-propan-2-yl-2-pyridinyl)methanol (CID 159097666) is 2-chloro-4-propan-2-ylpyridine;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;(4-propan-2-yl-2-pyridinyl)methanol.
What is the SMILES notation for 2-chloro-4-propan-2-ylpyridine;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;(4-propan-2-yl-2-pyridinyl)methanol?
The canonical SMILES for 2-chloro-4-propan-2-ylpyridine;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;(4-propan-2-yl-2-pyridinyl)methanol is CC(C)c1ccc(CNCCN2CCOCC2)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(OCCCN(C)C)cc1.CC(C)c1ccc(OCCCN2CCOCC2)cc1.CC(C)c1cccc(CN(C)C)c1.CC(C)c1cccc(CO)c1.CC(C)c1cccc(F)c1.CC(C)c1ccnc(CO)c1.CC(C)c1ccnc(Cl)c1.CC(C)c1ccnc(N)c1.COCCCOc1ccc(C(C)C)cc1.COCCNCc1ccc(C(C)C)cc1.COCc1cccc(C(C)C)c1.Cc1cc(C(C)C)ccn1.Cc1cccc(C(C)C)c1.
What is the InChIKey of 2-chloro-4-propan-2-ylpyridine;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;(4-propan-2-yl-2-pyridinyl)methanol?
The InChIKey is KCWJJLRVPPFWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.C16H25NO2.C14H23NO.C13H21NO.C13H20O2.C12H19N.C11H16O.C10H14O.C10H14.2C9H11F.C9H13NO.C9H13N.C8H10ClN.C8H12N2/c1-14(2)16-5-3-15(4-6-16)13-17-7-8-18-9-11-19-12-10-18;1-14(2)15-4-6-16(7-5-15)19-11-3-8-17-9-12-18-13-10-17;1-12(2)13-6-8-14(9-7-13)16-11-5-10-15(3)4;1-11(2)13-6-4-12(5-7-13)10-14-8-9-15-3;1-11(2)12-5-7-13(8-6-12)15-10-4-9-14-3;1-10(2)12-7-5-6-11(8-12)9-13(3)4;1-9(2)11-6-4-5-10(7-11)8-12-3;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-3-4-10-9(5-8)6-11;1-7(2)9-4-5-10-8(3)6-9;2*1-6(2)7-3-4-10-8(9)5-7/h3-6,14,17H,7-13H2,1-2H3;4-7,14H,3,8-13H2,1-2H3;6-9,12H,5,10-11H2,1-4H3;4-7,11,14H,8-10H2,1-3H3;5-8,11H,4,9-10H2,1-3H3;5-8,10H,9H2,1-4H3;4-7,9H,8H2,1-3H3;3-6,8,11H,7H2,1-2H3;4-8H,1-3H3;2*3-7H,1-2H3;3-5,7,11H,6H2,1-2H3;4-7H,1-3H3;3-6H,1-2H3;3-6H,1-2H3,(H2,9,10).
What are the key properties of 2-chloro-4-propan-2-ylpyridine;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;(4-propan-2-yl-2-pyridinyl)methanol?
2-chloro-4-propan-2-ylpyridine;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;(4-propan-2-yl-2-pyridinyl)methanol has a molecular weight of 2643.34 g/mol, XLogP of 40.06, 46 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-propan-2-ylpyridine;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;(4-propan-2-yl-2-pyridinyl)methanol is sourced from PubChem (CID 159097666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).