2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6-methylpyridin-3-ol

C16H20N2O2 — CID 81376228

IUPAC2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6-methylpyridin-3-ol
SMILESCOc1cccc([C@H](C)NCc2nc(C)ccc2O)c1
InChIInChI=1S/C16H20N2O2/c1-11-7-8-16(19)15(18-11)10-17-12(2)13-5-4-6-14(9-13)20-3/h4-9,12,17,19H,10H2,1-3H3/t12-/m0/s1
InChIKeyWJKUOSJMTYNSPB-LBPRGKRZSA-N
MW272.35 g/mol
LogP2.96
Rot. Bonds5

About 2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6-methylpyridin-3-ol

2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6-methylpyridin-3-ol (PubChem CID 81376228) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6-methylpyridin-3-ol
PubChem CID81376228
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6-methylpyridin-3-ol
SMILESCOc1cccc([C@H](C)NCc2nc(C)ccc2O)c1
InChIInChI=1S/C16H20N2O2/c1-11-7-8-16(19)15(18-11)10-17-12(2)13-5-4-6-14(9-13)20-3/h4-9,12,17,19H,10H2,1-3H3/t12-/m0/s1
InChIKeyWJKUOSJMTYNSPB-LBPRGKRZSA-N
XLogP2.96
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[[1-(3-nitrophenyl)ethylamino]methyl]pyridin-3-ol
CID 78928473
(1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 82886390
(1S)-1-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 95396037
4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 107737946
2-methoxy-5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81354169
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 112582155
N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 60960692
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
2-bromo-6-[[1-(3-methoxyphenyl)ethylamino]methyl]phenol
CID 61391638
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 104860852
N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 74438762
4-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103258113

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6-methylpyridin-3-ol (CID 81376228) is 2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6-methylpyridin-3-ol is COc1cccc([C@H](C)NCc2nc(C)ccc2O)c1.
What is the InChIKey of 2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6-methylpyridin-3-ol?
The InChIKey is WJKUOSJMTYNSPB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-7-8-16(19)15(18-11)10-17-12(2)13-5-4-6-14(9-13)20-3/h4-9,12,17,19H,10H2,1-3H3/t12-/m0/s1.
What are the key properties of 2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6-methylpyridin-3-ol?
2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6-methylpyridin-3-ol has a molecular weight of 272.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 81376228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).