3-[(1R)-1-amino-2-phenylethyl]benzonitrile

C15H14N2 — CID 118518493

IUPAC3-[(1R)-1-amino-2-phenylethyl]benzonitrile
SMILESN#Cc1cccc([C@H](N)Cc2ccccc2)c1
InChIInChI=1S/C15H14N2/c16-11-13-7-4-8-14(9-13)15(17)10-12-5-2-1-3-6-12/h1-9,15H,10,17H2/t15-/m1/s1
InChIKeySVYYDOTZGOSPMX-OAHLLOKOSA-N
MW222.29 g/mol
LogP2.80
Rot. Bonds3

About 3-[(1R)-1-amino-2-phenylethyl]benzonitrile

3-[(1R)-1-amino-2-phenylethyl]benzonitrile (PubChem CID 118518493) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[(1R)-1-amino-2-phenylethyl]benzonitrile.

Molecular Properties

Compound Name3-[(1R)-1-amino-2-phenylethyl]benzonitrile
PubChem CID118518493
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name3-[(1R)-1-amino-2-phenylethyl]benzonitrile
SMILESN#Cc1cccc([C@H](N)Cc2ccccc2)c1
InChIInChI=1S/C15H14N2/c16-11-13-7-4-8-14(9-13)15(17)10-12-5-2-1-3-6-12/h1-9,15H,10,17H2/t15-/m1/s1
InChIKeySVYYDOTZGOSPMX-OAHLLOKOSA-N
XLogP2.80
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]benzonitrile;hydrochloride
CID 171261456
3-[(1R)-1-amino-2-hydroxyethyl]benzonitrile
CID 66513688
3-[(1S)-1-amino-3-methylbutyl]benzonitrile
CID 130884549
3-(3-amino-2-phenylpropyl)benzonitrile
CID 82140960
1-(3-fluorophenyl)-2-phenylethanamine
CID 60818791
3-[(1S)-1-aminobut-3-enyl]benzonitrile
CID 55292155
3-(1-amino-2-trimethylsilylethyl)benzonitrile
CID 67325885
1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
CID 116543879
3-[(2-amino-3,3-diphenylpropoxy)methyl]benzonitrile
CID 57048018
3-[(2R)-2-aminopropyl]benzonitrile
CID 130739273
3-[(1R)-1-amino-2-cyclopropylethyl]benzonitrile;hydrochloride
CID 171201432
3-[(1R)-1-amino-3-methylbut-3-enyl]benzonitrile
CID 130942039

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-2-phenylethyl]benzonitrile?
The IUPAC name of 3-[(1R)-1-amino-2-phenylethyl]benzonitrile (CID 118518493) is 3-[(1R)-1-amino-2-phenylethyl]benzonitrile.
What is the SMILES notation for 3-[(1R)-1-amino-2-phenylethyl]benzonitrile?
The canonical SMILES for 3-[(1R)-1-amino-2-phenylethyl]benzonitrile is N#Cc1cccc([C@H](N)Cc2ccccc2)c1.
What is the InChIKey of 3-[(1R)-1-amino-2-phenylethyl]benzonitrile?
The InChIKey is SVYYDOTZGOSPMX-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14N2/c16-11-13-7-4-8-14(9-13)15(17)10-12-5-2-1-3-6-12/h1-9,15H,10,17H2/t15-/m1/s1.
What are the key properties of 3-[(1R)-1-amino-2-phenylethyl]benzonitrile?
3-[(1R)-1-amino-2-phenylethyl]benzonitrile has a molecular weight of 222.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-2-phenylethyl]benzonitrile is sourced from PubChem (CID 118518493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).