2-[amino(phenyl)methyl]benzonitrile;hydrochloride

C14H13ClN2 — CID 172834472

IUPAC2-[amino(phenyl)methyl]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccccc1C(N)c1ccccc1
InChIInChI=1S/C14H12N2.ClH/c15-10-12-8-4-5-9-13(12)14(16)11-6-2-1-3-7-11;/h1-9,14H,16H2;1H
InChIKeyVYSJXHHKXCRWRL-UHFFFAOYSA-N
MW244.73 g/mol
LogP3.03
Rot. Bonds2

About 2-[amino(phenyl)methyl]benzonitrile;hydrochloride

2-[amino(phenyl)methyl]benzonitrile;hydrochloride (PubChem CID 172834472) has the molecular formula C14H13ClN2 and a molecular weight of 244.73 g/mol. Its IUPAC name is 2-[amino(phenyl)methyl]benzonitrile;hydrochloride.

Molecular Properties

Compound Name2-[amino(phenyl)methyl]benzonitrile;hydrochloride
PubChem CID172834472
Molecular FormulaC14H13ClN2
Molecular Weight244.73 g/mol
Exact Mass244.08
IUPAC Name2-[amino(phenyl)methyl]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccccc1C(N)c1ccccc1
InChIInChI=1S/C14H12N2.ClH/c15-10-12-8-4-5-9-13(12)14(16)11-6-2-1-3-7-11;/h1-9,14H,16H2;1H
InChIKeyVYSJXHHKXCRWRL-UHFFFAOYSA-N
XLogP3.03
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(R)-amino(thiophen-2-yl)methyl]benzonitrile;hydrochloride
CID 171221604
2-[bromo(phenyl)methyl]benzonitrile
CID 13244726
2-[amino(hydroxy)methyl]benzonitrile
CID 22991713
2-[(1R)-1-amino-2-fluoroethyl]benzonitrile;hydrochloride
CID 171221581
2-[(1S)-1-amino-2-cyanoethyl]benzonitrile;hydrochloride
CID 171259902
2-[(1S)-1-aminoprop-2-enyl]benzonitrile;hydrochloride
CID 171221589
2-[(1S)-1-amino-2,2,2-trifluoroethyl]benzonitrile;hydrochloride
CID 162309012
2-[(1S,2R)-1-amino-2-hydroxypropyl]benzonitrile;hydrochloride
CID 171267325
2-[(1S)-1,3-diaminopropyl]benzonitrile
CID 130814936
2-[(1R)-1,3-diaminopropyl]benzonitrile
CID 131014593
2-[(1S)-1-aminoprop-2-enyl]benzonitrile
CID 131090476
2-(difluoromethyl)benzonitrile
CID 57421356

Frequently Asked Questions

What is the IUPAC name of 2-[amino(phenyl)methyl]benzonitrile;hydrochloride?
The IUPAC name of 2-[amino(phenyl)methyl]benzonitrile;hydrochloride (CID 172834472) is 2-[amino(phenyl)methyl]benzonitrile;hydrochloride.
What is the SMILES notation for 2-[amino(phenyl)methyl]benzonitrile;hydrochloride?
The canonical SMILES for 2-[amino(phenyl)methyl]benzonitrile;hydrochloride is Cl.N#Cc1ccccc1C(N)c1ccccc1.
What is the InChIKey of 2-[amino(phenyl)methyl]benzonitrile;hydrochloride?
The InChIKey is VYSJXHHKXCRWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2.ClH/c15-10-12-8-4-5-9-13(12)14(16)11-6-2-1-3-7-11;/h1-9,14H,16H2;1H.
What are the key properties of 2-[amino(phenyl)methyl]benzonitrile;hydrochloride?
2-[amino(phenyl)methyl]benzonitrile;hydrochloride has a molecular weight of 244.73 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(phenyl)methyl]benzonitrile;hydrochloride is sourced from PubChem (CID 172834472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).