2-(2-aminoethyl)benzonitrile;hydrochloride

C9H11ClN2 — CID 50999321

IUPAC2-(2-aminoethyl)benzonitrile;hydrochloride
SMILESCl.N#Cc1ccccc1CCN
InChIInChI=1S/C9H10N2.ClH/c10-6-5-8-3-1-2-4-9(8)7-11;/h1-4H,5-6,10H2;1H
InChIKeyXPMRMTGJRGZREY-UHFFFAOYSA-N
MW182.65 g/mol
LogP1.48
Rot. Bonds2

About 2-(2-aminoethyl)benzonitrile;hydrochloride

2-(2-aminoethyl)benzonitrile;hydrochloride (PubChem CID 50999321) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 2-(2-aminoethyl)benzonitrile;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)benzonitrile;hydrochloride
PubChem CID50999321
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name2-(2-aminoethyl)benzonitrile;hydrochloride
SMILESCl.N#Cc1ccccc1CCN
InChIInChI=1S/C9H10N2.ClH/c10-6-5-8-3-1-2-4-9(8)7-11;/h1-4H,5-6,10H2;1H
InChIKeyXPMRMTGJRGZREY-UHFFFAOYSA-N
XLogP1.48
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromoethyl)benzonitrile
CID 57227888
2-[(2-cyanophenyl)methyl]benzonitrile
CID 19390291
2-[3-[3-(2-cyanophenyl)propylsulfanyl]propyl]benzonitrile
CID 141010683
2-(iodomethyl)benzonitrile
CID 64788563
benzene-1,2-dicarbonitrile;dihydrochloride
CID 66675666
2-[[2-aminoethyl(methyl)amino]methyl]benzonitrile
CID 62686462
2-[3-(2-bromophenyl)propyl]benzonitrile
CID 102008696
2-[[3-(2-aminoethyl)phenoxy]methyl]benzonitrile
CID 54930897
2-[(4-aminobutylamino)methyl]benzonitrile
CID 107935930
2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
CID 123672442
2-[3-(dimethylamino)propyl]benzonitrile
CID 10702796
2-(2-ethoxyethyl)benzonitrile
CID 134604790

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)benzonitrile;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)benzonitrile;hydrochloride (CID 50999321) is 2-(2-aminoethyl)benzonitrile;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)benzonitrile;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)benzonitrile;hydrochloride is Cl.N#Cc1ccccc1CCN.
What is the InChIKey of 2-(2-aminoethyl)benzonitrile;hydrochloride?
The InChIKey is XPMRMTGJRGZREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.ClH/c10-6-5-8-3-1-2-4-9(8)7-11;/h1-4H,5-6,10H2;1H.
What are the key properties of 2-(2-aminoethyl)benzonitrile;hydrochloride?
2-(2-aminoethyl)benzonitrile;hydrochloride has a molecular weight of 182.65 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)benzonitrile;hydrochloride is sourced from PubChem (CID 50999321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).