4-(1-aminoethyl)benzonitrile

C9H10N2 — CID 11544790

IUPAC4-(1-aminoethyl)benzonitrile
SMILESCC(N)c1ccc(C#N)cc1
InChIInChI=1S/C9H10N2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7H,11H2,1H3
InChIKeyCANLULJYEHSQFU-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.58
Rot. Bonds1

About 4-(1-aminoethyl)benzonitrile

4-(1-aminoethyl)benzonitrile (PubChem CID 11544790) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4-(1-aminoethyl)benzonitrile.

Molecular Properties

Compound Name4-(1-aminoethyl)benzonitrile
PubChem CID11544790
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name4-(1-aminoethyl)benzonitrile
SMILESCC(N)c1ccc(C#N)cc1
InChIInChI=1S/C9H10N2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7H,11H2,1H3
InChIKeyCANLULJYEHSQFU-UHFFFAOYSA-N
XLogP1.58
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2R)-3-methylbutan-2-yl]benzonitrile
CID 89060357
4-[1-(propan-2-ylamino)ethyl]benzonitrile
CID 43190054
4-[(2R)-1-aminopropan-2-yl]benzonitrile
CID 139426388
4-[1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]benzonitrile
CID 81353264
4-[1-[[(1S)-1-(4-bromophenyl)ethyl]amino]ethyl]benzonitrile
CID 81359050
4-(1-amino-2,2-difluoroethyl)benzonitrile
CID 130062082
4-[(1R)-1-(4-methylphenyl)ethyl]benzonitrile
CID 143144069
4-[(1R)-1-phenylethyl]benzonitrile
CID 118361850
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[4-(1-aminoethyl)-2-fluoro-N-methylanilino]benzonitrile
CID 62970389
4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile;ethane
CID 143811392
4-(1-amino-2-trimethylsilylethyl)benzonitrile
CID 67325387

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)benzonitrile?
The IUPAC name of 4-(1-aminoethyl)benzonitrile (CID 11544790) is 4-(1-aminoethyl)benzonitrile.
What is the SMILES notation for 4-(1-aminoethyl)benzonitrile?
The canonical SMILES for 4-(1-aminoethyl)benzonitrile is CC(N)c1ccc(C#N)cc1.
What is the InChIKey of 4-(1-aminoethyl)benzonitrile?
The InChIKey is CANLULJYEHSQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7H,11H2,1H3.
What are the key properties of 4-(1-aminoethyl)benzonitrile?
4-(1-aminoethyl)benzonitrile has a molecular weight of 146.19 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)benzonitrile is sourced from PubChem (CID 11544790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).