2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol

C13H13ClN2O — CID 79839104

IUPAC2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol
SMILESOC(CNc1ccncc1Cl)c1ccccc1
InChIInChI=1S/C13H13ClN2O/c14-11-8-15-7-6-12(11)16-9-13(17)10-4-2-1-3-5-10/h1-8,13,17H,9H2,(H,15,16)
InChIKeyRFINIMFVELXOLZ-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.88
Rot. Bonds4

About 2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol

2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol (PubChem CID 79839104) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol
PubChem CID79839104
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol
SMILESOC(CNc1ccncc1Cl)c1ccccc1
InChIInChI=1S/C13H13ClN2O/c14-11-8-15-7-6-12(11)16-9-13(17)10-4-2-1-3-5-10/h1-8,13,17H,9H2,(H,15,16)
InChIKeyRFINIMFVELXOLZ-UHFFFAOYSA-N
XLogP2.88
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-4-pyridinyl)amino]-1-(4-methoxyphenyl)ethanol
CID 133351741
(1R)-2-[(3-chloro-4-pyridinyl)amino]-1-(3,4-dimethoxyphenyl)ethanol
CID 97221871
3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
CID 66482775
2-(2-chloro-4-methylanilino)-1-phenylethanol
CID 55026534
4-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]pyridine-3-carboxamide
CID 133477197
N-(3-chloro-4-pyridinyl)-1-phenylethane-1,2-diamine
CID 79840947
(1R)-2-[[(R)-phenyl(pyridin-4-yl)methyl]amino]-1-pyridin-4-ylethanol
CID 99852293
2-(2-methylanilino)-1-pyridin-3-ylethanol
CID 82040364
2-tert-butyl-4-chloro-5-[(2-hydroxy-2-phenylethyl)amino]pyridazin-3-one
CID 49225583
3-chloro-N-(2-chloro-4,4-dimethylpentyl)pyridin-4-amine
CID 107156107
3-chloro-N-(3-phenylpropyl)pyridin-4-amine
CID 79770520
1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol
CID 122159447

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol?
The IUPAC name of 2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol (CID 79839104) is 2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol is OC(CNc1ccncc1Cl)c1ccccc1.
What is the InChIKey of 2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol?
The InChIKey is RFINIMFVELXOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-11-8-15-7-6-12(11)16-9-13(17)10-4-2-1-3-5-10/h1-8,13,17H,9H2,(H,15,16).
What are the key properties of 2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol?
2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol has a molecular weight of 248.71 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol is sourced from PubChem (CID 79839104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).