(3R)-3-amino-3-(3-phenoxyphenyl)propanenitrile

C15H14N2O — CID 171260327

IUPAC(3R)-3-amino-3-(3-phenoxyphenyl)propanenitrile
SMILESN#CC[C@@H](N)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H14N2O/c16-10-9-15(17)12-5-4-8-14(11-12)18-13-6-2-1-3-7-13/h1-8,11,15H,9,17H2/t15-/m1/s1
InChIKeyIIRNIUDLPQVTSF-OAHLLOKOSA-N
MW238.29 g/mol
LogP3.39
Rot. Bonds4

About (3R)-3-amino-3-(3-phenoxyphenyl)propanenitrile

(3R)-3-amino-3-(3-phenoxyphenyl)propanenitrile (PubChem CID 171260327) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is (3R)-3-amino-3-(3-phenoxyphenyl)propanenitrile.

Molecular Properties

Compound Name(3R)-3-amino-3-(3-phenoxyphenyl)propanenitrile
PubChem CID171260327
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name(3R)-3-amino-3-(3-phenoxyphenyl)propanenitrile
SMILESN#CC[C@@H](N)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H14N2O/c16-10-9-15(17)12-5-4-8-14(11-12)18-13-6-2-1-3-7-13/h1-8,11,15H,9,17H2/t15-/m1/s1
InChIKeyIIRNIUDLPQVTSF-OAHLLOKOSA-N
XLogP3.39
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-amino-3-(3-phenoxyphenyl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-amino-3-(4-phenoxyphenyl)propanenitrile
CID 171260053
(1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220046
(1R)-1-(3-phenoxyphenyl)propane-1,3-diamine
CID 171200508
3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine
CID 112693450
(1S)-3-methyl-1-(3-phenoxyphenyl)butan-1-amine;hydrochloride
CID 171220068
(1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine
CID 171200529
(1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
CID 171220071
(2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile
CID 129383217
3-amino-3-(3-sulfanylphenyl)propanenitrile
CID 55295532
(3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride
CID 171260279
(3R)-3-amino-3-(3-sulfanylphenyl)propanenitrile
CID 130631108
3-amino-3-[3-(difluoromethyl)phenyl]propanenitrile
CID 55269014

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3-phenoxyphenyl)propanenitrile?
The IUPAC name of (3R)-3-amino-3-(3-phenoxyphenyl)propanenitrile (CID 171260327) is (3R)-3-amino-3-(3-phenoxyphenyl)propanenitrile.
What is the SMILES notation for (3R)-3-amino-3-(3-phenoxyphenyl)propanenitrile?
The canonical SMILES for (3R)-3-amino-3-(3-phenoxyphenyl)propanenitrile is N#CC[C@@H](N)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (3R)-3-amino-3-(3-phenoxyphenyl)propanenitrile?
The InChIKey is IIRNIUDLPQVTSF-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14N2O/c16-10-9-15(17)12-5-4-8-14(11-12)18-13-6-2-1-3-7-13/h1-8,11,15H,9,17H2/t15-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3-phenoxyphenyl)propanenitrile?
(3R)-3-amino-3-(3-phenoxyphenyl)propanenitrile has a molecular weight of 238.29 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3-phenoxyphenyl)propanenitrile is sourced from PubChem (CID 171260327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).