2-amino-4-phenylbutanenitrile

C10H12N2 — CID 11159479

IUPAC2-amino-4-phenylbutanenitrile
SMILESN#CC(N)CCc1ccccc1
InChIInChI=1S/C10H12N2/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5,10H,6-7,12H2
InChIKeyFSAUIYUBLSGUOP-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.47
Rot. Bonds3

About 2-amino-4-phenylbutanenitrile

2-amino-4-phenylbutanenitrile (PubChem CID 11159479) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-amino-4-phenylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-phenylbutanenitrile
PubChem CID11159479
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-amino-4-phenylbutanenitrile
SMILESN#CC(N)CCc1ccccc1
InChIInChI=1S/C10H12N2/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5,10H,6-7,12H2
InChIKeyFSAUIYUBLSGUOP-UHFFFAOYSA-N
XLogP1.47
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-(4-bromophenyl)butanenitrile
CID 84727888
(2S)-4-phenylbutan-2-amine
CID 6994564
1-hydroperoxy-3-phenylpropan-1-amine
CID 143660596
(1-amino-3-phenylpropyl)boronic acid
CID 129319387
2-(2-phenylethyl)but-3-enenitrile
CID 172991765
1,4-diphenylbutan-2-amine
CID 60820174
2-(methylaminomethyl)-4-phenylbutanenitrile
CID 129015746
2-(methoxymethyl)-4-phenylbutanenitrile
CID 134862726
2-amino-4-phenylbutan-1-ol
CID 159249603
5-phenylpentane-1,3-diamine
CID 68702978
(3S)-3-chloro-5-phenylpentanenitrile
CID 122393568
2-(2,6-dichlorophenyl)-4-phenylbutanenitrile
CID 82137101

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenylbutanenitrile?
The IUPAC name of 2-amino-4-phenylbutanenitrile (CID 11159479) is 2-amino-4-phenylbutanenitrile.
What is the SMILES notation for 2-amino-4-phenylbutanenitrile?
The canonical SMILES for 2-amino-4-phenylbutanenitrile is N#CC(N)CCc1ccccc1.
What is the InChIKey of 2-amino-4-phenylbutanenitrile?
The InChIKey is FSAUIYUBLSGUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5,10H,6-7,12H2.
What are the key properties of 2-amino-4-phenylbutanenitrile?
2-amino-4-phenylbutanenitrile has a molecular weight of 160.22 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenylbutanenitrile is sourced from PubChem (CID 11159479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).