2-[3-(cyclobutylamino)phenyl]acetonitrile

C12H14N2 — CID 131026744

IUPAC2-[3-(cyclobutylamino)phenyl]acetonitrile
SMILESN#CCc1cccc(NC2CCC2)c1
InChIInChI=1S/C12H14N2/c13-8-7-10-3-1-6-12(9-10)14-11-4-2-5-11/h1,3,6,9,11,14H,2,4-5,7H2
InChIKeyMXGBDRHNWRIDOR-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.72
Rot. Bonds3

About 2-[3-(cyclobutylamino)phenyl]acetonitrile

2-[3-(cyclobutylamino)phenyl]acetonitrile (PubChem CID 131026744) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-[3-(cyclobutylamino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(cyclobutylamino)phenyl]acetonitrile
PubChem CID131026744
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-[3-(cyclobutylamino)phenyl]acetonitrile
SMILESN#CCc1cccc(NC2CCC2)c1
InChIInChI=1S/C12H14N2/c13-8-7-10-3-1-6-12(9-10)14-11-4-2-5-11/h1,3,6,9,11,14H,2,4-5,7H2
InChIKeyMXGBDRHNWRIDOR-UHFFFAOYSA-N
XLogP2.72
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-3-ethylaniline
CID 11009024
2-[2-amino-5-(cyclobutylamino)phenyl]acetonitrile
CID 102624243
1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 19708208
[3-(cyclopropylamino)phenyl]methanethiol
CID 163530341
3-(cyclododecylamino)benzonitrile
CID 63422717
3-(cyanomethyl)-N-cyclopentylbenzamide
CID 82178994
2-[4-[(4-ethylcycloheptyl)amino]phenyl]acetonitrile
CID 65084249
N-[3-[(dimethylamino)methyl]phenyl]-4-methylcycloheptan-1-amine
CID 65080920
3-(anilinomethyl)-N-cyclopropylaniline
CID 143695997
2-[3-[(4-ethylcycloheptyl)amino]phenoxy]acetonitrile
CID 65084149
4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine
CID 65084477
N-(3-cyclopropylcyclohexyl)-3-[(dimethylamino)methyl]aniline
CID 64596213

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclobutylamino)phenyl]acetonitrile?
The IUPAC name of 2-[3-(cyclobutylamino)phenyl]acetonitrile (CID 131026744) is 2-[3-(cyclobutylamino)phenyl]acetonitrile.
What is the SMILES notation for 2-[3-(cyclobutylamino)phenyl]acetonitrile?
The canonical SMILES for 2-[3-(cyclobutylamino)phenyl]acetonitrile is N#CCc1cccc(NC2CCC2)c1.
What is the InChIKey of 2-[3-(cyclobutylamino)phenyl]acetonitrile?
The InChIKey is MXGBDRHNWRIDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-8-7-10-3-1-6-12(9-10)14-11-4-2-5-11/h1,3,6,9,11,14H,2,4-5,7H2.
What are the key properties of 2-[3-(cyclobutylamino)phenyl]acetonitrile?
2-[3-(cyclobutylamino)phenyl]acetonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclobutylamino)phenyl]acetonitrile is sourced from PubChem (CID 131026744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).