2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile

C15H13ClN2O — CID 84817645

IUPAC2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile
SMILESN#CC(NCc1ccc(Cl)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H13ClN2O/c16-13-5-1-11(2-6-13)10-18-15(9-17)12-3-7-14(19)8-4-12/h1-8,15,18-19H,10H2
InChIKeyZTNAVJKFQCIZMI-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.40
Rot. Bonds4

About 2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile

2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile (PubChem CID 84817645) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile
PubChem CID84817645
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile
SMILESN#CC(NCc1ccc(Cl)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H13ClN2O/c16-13-5-1-11(2-6-13)10-18-15(9-17)12-3-7-14(19)8-4-12/h1-8,15,18-19H,10H2
InChIKeyZTNAVJKFQCIZMI-UHFFFAOYSA-N
XLogP3.40
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)acetonitrile
CID 82019785
(2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile
CID 10716423
2-[(4-chlorophenyl)methylamino]-2-(2-hydroxy-5-methylphenyl)acetonitrile
CID 84817650
(2S)-2-(benzylamino)-2-phenylacetonitrile
CID 10619409
2-(4-hydroxyphenyl)-2-(2-methylpropylamino)acetonitrile
CID 61005792
2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetonitrile
CID 62354503
2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile
CID 82019907
2-[2-(4-fluorophenyl)ethylamino]-2-(4-hydroxyphenyl)acetonitrile
CID 84817722
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
2-(benzylamino)-2-(4-methylphenyl)acetonitrile
CID 15852212
2-(4-chlorophenyl)-2-(3-phenylpropylamino)acetonitrile
CID 25155800
2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride
CID 91664037

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile (CID 84817645) is 2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile is N#CC(NCc1ccc(Cl)cc1)c1ccc(O)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile?
The InChIKey is ZTNAVJKFQCIZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-13-5-1-11(2-6-13)10-18-15(9-17)12-3-7-14(19)8-4-12/h1-8,15,18-19H,10H2.
What are the key properties of 2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile?
2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile has a molecular weight of 272.74 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile is sourced from PubChem (CID 84817645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).