(1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol

C16H20N2O2 — CID 83131957

IUPAC(1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol
SMILESCOc1ccc(CN(C)c2ccc([C@H](C)O)nc2)cc1
InChIInChI=1S/C16H20N2O2/c1-12(19)16-9-6-14(10-17-16)18(2)11-13-4-7-15(20-3)8-5-13/h4-10,12,19H,11H2,1-3H3/t12-/m0/s1
InChIKeyDNZGYAKEMMHKBE-LBPRGKRZSA-N
MW272.35 g/mol
LogP2.78
Rot. Bonds5

About (1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol

(1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol (PubChem CID 83131957) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol
PubChem CID83131957
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol
SMILESCOc1ccc(CN(C)c2ccc([C@H](C)O)nc2)cc1
InChIInChI=1S/C16H20N2O2/c1-12(19)16-9-6-14(10-17-16)18(2)11-13-4-7-15(20-3)8-5-13/h4-10,12,19H,11H2,1-3H3/t12-/m0/s1
InChIKeyDNZGYAKEMMHKBE-LBPRGKRZSA-N
XLogP2.78
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol
CID 83132028
(1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131523
6-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-3-amine
CID 115486915
(1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol
CID 83132034
(1R)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol
CID 103938329
(1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol
CID 83132161
1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol
CID 115940380
(1S)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131703
(1R)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131878
(1R)-1-[5-[2,2-difluoroethyl(methyl)amino]-2-pyridinyl]ethanol
CID 104871019
(1R)-1-[5-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]ethanol
CID 83132151
(1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol
CID 83132268

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol (CID 83131957) is (1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol is COc1ccc(CN(C)c2ccc([C@H](C)O)nc2)cc1.
What is the InChIKey of (1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol?
The InChIKey is DNZGYAKEMMHKBE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(19)16-9-6-14(10-17-16)18(2)11-13-4-7-15(20-3)8-5-13/h4-10,12,19H,11H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol?
(1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol has a molecular weight of 272.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol is sourced from PubChem (CID 83131957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).