(1S)-1-(4-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethanol

C16H20N2O — CID 97158238

IUPAC(1S)-1-(4-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethanol
SMILESCc1ccc([C@H](O)CN[C@@H](C)c2cccnc2)cc1
InChIInChI=1S/C16H20N2O/c1-12-5-7-14(8-6-12)16(19)11-18-13(2)15-4-3-9-17-10-15/h3-10,13,16,18-19H,11H2,1-2H3/t13-,16+/m0/s1
InChIKeyPZZNJZGAADRDCA-XJKSGUPXSA-N
MW256.35 g/mol
LogP2.77
Rot. Bonds5

About (1S)-1-(4-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethanol

(1S)-1-(4-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethanol (PubChem CID 97158238) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (1S)-1-(4-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethanol.

Molecular Properties

Compound Name(1S)-1-(4-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethanol
PubChem CID97158238
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(1S)-1-(4-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethanol
SMILESCc1ccc([C@H](O)CN[C@@H](C)c2cccnc2)cc1
InChIInChI=1S/C16H20N2O/c1-12-5-7-14(8-6-12)16(19)11-18-13(2)15-4-3-9-17-10-15/h3-10,13,16,18-19H,11H2,1-2H3/t13-,16+/m0/s1
InChIKeyPZZNJZGAADRDCA-XJKSGUPXSA-N
XLogP2.77
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-(1-pyridin-3-ylethylamino)ethanol
CID 43499221
4-[1-hydroxy-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile
CID 81403976
1-(4-nitrophenyl)-2-(1-pyridin-3-ylethylamino)ethanol
CID 78956198
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol
CID 93032010
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
1-(4-methylphenyl)-2-[[phenyl(pyridin-4-yl)methyl]amino]ethanol
CID 110010234
1-(3-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347397
(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28670989
3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422
1-(4-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347393

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethanol?
The IUPAC name of (1S)-1-(4-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethanol (CID 97158238) is (1S)-1-(4-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethanol.
What is the SMILES notation for (1S)-1-(4-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethanol?
The canonical SMILES for (1S)-1-(4-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethanol is Cc1ccc([C@H](O)CN[C@@H](C)c2cccnc2)cc1.
What is the InChIKey of (1S)-1-(4-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethanol?
The InChIKey is PZZNJZGAADRDCA-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-5-7-14(8-6-12)16(19)11-18-13(2)15-4-3-9-17-10-15/h3-10,13,16,18-19H,11H2,1-2H3/t13-,16+/m0/s1.
What are the key properties of (1S)-1-(4-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethanol?
(1S)-1-(4-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethanol has a molecular weight of 256.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethanol is sourced from PubChem (CID 97158238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).