(1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol

C16H20N2O — CID 83132028

IUPAC(1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol
SMILESCc1ccc(CN(C)c2ccc([C@H](C)O)nc2)cc1
InChIInChI=1S/C16H20N2O/c1-12-4-6-14(7-5-12)11-18(3)15-8-9-16(13(2)19)17-10-15/h4-10,13,19H,11H2,1-3H3/t13-/m0/s1
InChIKeyQEFKOGJXTWSYGI-ZDUSSCGKSA-N
MW256.35 g/mol
LogP3.08
Rot. Bonds4

About (1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol

(1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol (PubChem CID 83132028) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol
PubChem CID83132028
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol
SMILESCc1ccc(CN(C)c2ccc([C@H](C)O)nc2)cc1
InChIInChI=1S/C16H20N2O/c1-12-4-6-14(7-5-12)11-18(3)15-8-9-16(13(2)19)17-10-15/h4-10,13,19H,11H2,1-3H3/t13-/m0/s1
InChIKeyQEFKOGJXTWSYGI-ZDUSSCGKSA-N
XLogP3.08
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol (CID 83132028) is (1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol is Cc1ccc(CN(C)c2ccc([C@H](C)O)nc2)cc1.
What is the InChIKey of (1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol?
The InChIKey is QEFKOGJXTWSYGI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-4-6-14(7-5-12)11-18(3)15-8-9-16(13(2)19)17-10-15/h4-10,13,19H,11H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol?
(1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol has a molecular weight of 256.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol is sourced from PubChem (CID 83132028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).