2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol

C14H15ClN2O — CID 110013489

IUPAC2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol
SMILESOCC(NCc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C14H15ClN2O/c15-12-6-7-13(16-8-12)9-17-14(10-18)11-4-2-1-3-5-11/h1-8,14,17-18H,9-10H2
InChIKeyZOHSMKMBBDFOJP-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.56
Rot. Bonds5

About 2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol

2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol (PubChem CID 110013489) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol
PubChem CID110013489
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol
SMILESOCC(NCc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C14H15ClN2O/c15-12-6-7-13(16-8-12)9-17-14(10-18)11-4-2-1-3-5-11/h1-8,14,17-18H,9-10H2
InChIKeyZOHSMKMBBDFOJP-UHFFFAOYSA-N
XLogP2.56
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-2-(4-chlorophenyl)ethanol
CID 61046547
2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol
CID 55159998
N-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 63199678
2-[(2,6-dichlorophenyl)methylamino]-2-phenylethanol
CID 63182715
2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol
CID 114750493
(2R)-2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylethanol
CID 103766335
(1R)-N-[(5-chloro-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine
CID 156830628
(1S)-N-[(5-chloro-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine
CID 156830681
(2R)-2-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]ethanol
CID 107862655
2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol
CID 63182355
(2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol
CID 95026876
2-[(5-chloro-2-pyridinyl)methylamino]ethanol
CID 19767951

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol (CID 110013489) is 2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol is OCC(NCc1ccc(Cl)cn1)c1ccccc1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol?
The InChIKey is ZOHSMKMBBDFOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-12-6-7-13(16-8-12)9-17-14(10-18)11-4-2-1-3-5-11/h1-8,14,17-18H,9-10H2.
What are the key properties of 2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol?
2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol has a molecular weight of 262.74 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol is sourced from PubChem (CID 110013489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).