(2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol

C17H22N2O — CID 97334731

IUPAC(2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol
SMILESCC[C@H](O)CN[C@H](C)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C17H22N2O/c1-3-17(20)12-19-13(2)14-6-8-15(9-7-14)16-5-4-10-18-11-16/h4-11,13,17,19-20H,3,12H2,1-2H3/t13-,17+/m1/s1
InChIKeyBOPNAIUZMPVTEH-DYVFJYSZSA-N
MW270.38 g/mol
LogP3.17
Rot. Bonds6

About (2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol

(2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol (PubChem CID 97334731) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol
PubChem CID97334731
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol
SMILESCC[C@H](O)CN[C@H](C)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C17H22N2O/c1-3-17(20)12-19-13(2)14-6-8-15(9-7-14)16-5-4-10-18-11-16/h4-11,13,17,19-20H,3,12H2,1-2H3/t13-,17+/m1/s1
InChIKeyBOPNAIUZMPVTEH-DYVFJYSZSA-N
XLogP3.17
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol with MolForge

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Related Compounds

(2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol
CID 75444116
(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine
CID 97334733
1-[(2S)-1-hydroxybutan-2-yl]-3-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 97096200
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine
CID 75443598
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
2-(methylamino)-N-[1-(4-pyridin-3-ylphenyl)ethyl]acetamide
CID 120704866
(1S)-1-(4-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethanol
CID 97158238
N-cyclopentyl-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide
CID 97334723
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine
CID 71864791
N-(5-methyl-1,2-oxazol-3-yl)-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide
CID 124615499
N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine
CID 54911631
3-methyl-1-[1-(4-phenylphenyl)ethylamino]butan-2-ol
CID 115720487

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol?
The IUPAC name of (2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol (CID 97334731) is (2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol.
What is the SMILES notation for (2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol?
The canonical SMILES for (2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol is CC[C@H](O)CN[C@H](C)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of (2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol?
The InChIKey is BOPNAIUZMPVTEH-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-17(20)12-19-13(2)14-6-8-15(9-7-14)16-5-4-10-18-11-16/h4-11,13,17,19-20H,3,12H2,1-2H3/t13-,17+/m1/s1.
What are the key properties of (2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol?
(2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol has a molecular weight of 270.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol is sourced from PubChem (CID 97334731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).