(2R)-2-amino-2-(2-phenoxyphenyl)acetonitrile

C14H12N2O — CID 129373301

IUPAC(2R)-2-amino-2-(2-phenoxyphenyl)acetonitrile
SMILESN#C[C@H](N)c1ccccc1Oc1ccccc1
InChIInChI=1S/C14H12N2O/c15-10-13(16)12-8-4-5-9-14(12)17-11-6-2-1-3-7-11/h1-9,13H,16H2/t13-/m0/s1
InChIKeyCBSDGUZPMKKXEM-ZDUSSCGKSA-N
MW224.26 g/mol
LogP3.00
Rot. Bonds3

About (2R)-2-amino-2-(2-phenoxyphenyl)acetonitrile

(2R)-2-amino-2-(2-phenoxyphenyl)acetonitrile (PubChem CID 129373301) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-phenoxyphenyl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-phenoxyphenyl)acetonitrile
PubChem CID129373301
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name(2R)-2-amino-2-(2-phenoxyphenyl)acetonitrile
SMILESN#C[C@H](N)c1ccccc1Oc1ccccc1
InChIInChI=1S/C14H12N2O/c15-10-13(16)12-8-4-5-9-14(12)17-11-6-2-1-3-7-11/h1-9,13H,16H2/t13-/m0/s1
InChIKeyCBSDGUZPMKKXEM-ZDUSSCGKSA-N
XLogP3.00
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-phenoxyphenyl)ethane-1,2-diamine
CID 66518149
1-phenoxy-2-[1-(2-phenoxyphenyl)ethyl]benzene
CID 139761762
2,6-diphenoxybenzonitrile
CID 71353957
2-amino-2-(2-fluoro-3-methoxyphenyl)acetonitrile
CID 130060820
3-[[cyano-(2-phenoxyphenyl)methyl]amino]but-2-enoic acid
CID 90387097
3-[2-[(1S)-1-aminopropyl]phenoxy]benzonitrile
CID 103959200
1-[2-(4-chlorophenoxy)phenyl]ethanamine
CID 43189173
4,5-diphenoxybenzene-1,2-dicarbonitrile
CID 680327
(2-phenoxyphenyl)cyanamide
CID 62482258
3-hydroxy-3-(2-methyl-3-phenoxyphenyl)propanenitrile
CID 70587645
2-chloro-2-phenoxyacetonitrile
CID 53400486
phenyl 2-cyano-2-(2-methoxyphenyl)acetate
CID 68736409

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-phenoxyphenyl)acetonitrile?
The IUPAC name of (2R)-2-amino-2-(2-phenoxyphenyl)acetonitrile (CID 129373301) is (2R)-2-amino-2-(2-phenoxyphenyl)acetonitrile.
What is the SMILES notation for (2R)-2-amino-2-(2-phenoxyphenyl)acetonitrile?
The canonical SMILES for (2R)-2-amino-2-(2-phenoxyphenyl)acetonitrile is N#C[C@H](N)c1ccccc1Oc1ccccc1.
What is the InChIKey of (2R)-2-amino-2-(2-phenoxyphenyl)acetonitrile?
The InChIKey is CBSDGUZPMKKXEM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H12N2O/c15-10-13(16)12-8-4-5-9-14(12)17-11-6-2-1-3-7-11/h1-9,13H,16H2/t13-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2-phenoxyphenyl)acetonitrile?
(2R)-2-amino-2-(2-phenoxyphenyl)acetonitrile has a molecular weight of 224.26 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-phenoxyphenyl)acetonitrile is sourced from PubChem (CID 129373301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).