2-[4-[(3-methylcyclobutyl)amino]phenyl]acetonitrile

C13H16N2 — CID 104862583

IUPAC2-[4-[(3-methylcyclobutyl)amino]phenyl]acetonitrile
SMILESCC1CC(Nc2ccc(CC#N)cc2)C1
InChIInChI=1S/C13H16N2/c1-10-8-13(9-10)15-12-4-2-11(3-5-12)6-7-14/h2-5,10,13,15H,6,8-9H2,1H3
InChIKeyZVKVTOGLQDJOMM-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.96
Rot. Bonds3

About 2-[4-[(3-methylcyclobutyl)amino]phenyl]acetonitrile

2-[4-[(3-methylcyclobutyl)amino]phenyl]acetonitrile (PubChem CID 104862583) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[4-[(3-methylcyclobutyl)amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(3-methylcyclobutyl)amino]phenyl]acetonitrile
PubChem CID104862583
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2-[4-[(3-methylcyclobutyl)amino]phenyl]acetonitrile
SMILESCC1CC(Nc2ccc(CC#N)cc2)C1
InChIInChI=1S/C13H16N2/c1-10-8-13(9-10)15-12-4-2-11(3-5-12)6-7-14/h2-5,10,13,15H,6,8-9H2,1H3
InChIKeyZVKVTOGLQDJOMM-UHFFFAOYSA-N
XLogP2.96
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3-methoxycyclobutyl)amino]phenyl]acetonitrile
CID 104872170
2-[4-[[3-(4-methylphenyl)cyclobutyl]amino]phenyl]acetonitrile
CID 43722321
4-[(dimethylamino)methyl]-N-(3,5-dimethylcyclohexyl)aniline
CID 64753180
2-[4-[[(3R)-thiolan-3-yl]amino]phenyl]acetonitrile
CID 93270558
2-[4-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]acetonitrile
CID 43722185
2-[4-[(4-ethylcycloheptyl)amino]phenyl]acetonitrile
CID 65084249
2-[4-[4-(cyanomethyl)anilino]phenyl]acetonitrile
CID 170886404
4-tert-butyl-N-(3-methylcyclobutyl)aniline
CID 103560717
4-[(3,5-dimethylcyclohexyl)amino]phenol
CID 64752586
4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine
CID 64732658
2-[4-(cyanomethylamino)phenyl]acetonitrile
CID 60720877
4-[4-(cyanomethyl)anilino]-N,N-dimethylpiperidine-1-carboxamide
CID 83268731

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylcyclobutyl)amino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(3-methylcyclobutyl)amino]phenyl]acetonitrile (CID 104862583) is 2-[4-[(3-methylcyclobutyl)amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(3-methylcyclobutyl)amino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(3-methylcyclobutyl)amino]phenyl]acetonitrile is CC1CC(Nc2ccc(CC#N)cc2)C1.
What is the InChIKey of 2-[4-[(3-methylcyclobutyl)amino]phenyl]acetonitrile?
The InChIKey is ZVKVTOGLQDJOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10-8-13(9-10)15-12-4-2-11(3-5-12)6-7-14/h2-5,10,13,15H,6,8-9H2,1H3.
What are the key properties of 2-[4-[(3-methylcyclobutyl)amino]phenyl]acetonitrile?
2-[4-[(3-methylcyclobutyl)amino]phenyl]acetonitrile has a molecular weight of 200.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylcyclobutyl)amino]phenyl]acetonitrile is sourced from PubChem (CID 104862583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).