1-[amino-(2-methylphenyl)methyl]cyclopropane-1-carbonitrile

C12H14N2 — CID 116943013

IUPAC1-[amino-(2-methylphenyl)methyl]cyclopropane-1-carbonitrile
SMILESCc1ccccc1C(N)C1(C#N)CC1
InChIInChI=1S/C12H14N2/c1-9-4-2-3-5-10(9)11(14)12(8-13)6-7-12/h2-5,11H,6-7,14H2,1H3
InChIKeyBTQBZTOIIHEQEE-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.30
Rot. Bonds2

About 1-[amino-(2-methylphenyl)methyl]cyclopropane-1-carbonitrile

1-[amino-(2-methylphenyl)methyl]cyclopropane-1-carbonitrile (PubChem CID 116943013) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-[amino-(2-methylphenyl)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[amino-(2-methylphenyl)methyl]cyclopropane-1-carbonitrile
PubChem CID116943013
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-[amino-(2-methylphenyl)methyl]cyclopropane-1-carbonitrile
SMILESCc1ccccc1C(N)C1(C#N)CC1
InChIInChI=1S/C12H14N2/c1-9-4-2-3-5-10(9)11(14)12(8-13)6-7-12/h2-5,11H,6-7,14H2,1H3
InChIKeyBTQBZTOIIHEQEE-UHFFFAOYSA-N
XLogP2.30
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[hydroxy-(2-methylphenyl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 79136881
1-[hydroxy-(2-methylphenyl)methyl]cyclooctane-1-carbonitrile
CID 80603593
[1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine
CID 116943451
1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066805
1-[hydroxy-(2-methylphenyl)methyl]-3-methylcyclopentane-1-carbonitrile
CID 79136969
1-[amino-(2,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile
CID 116942939
(2-methylphenyl)-(4-phenyloxan-4-yl)methanamine
CID 63081175
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074317
(2S)-3-methyl-2-(2-methylphenyl)butanenitrile
CID 92978892
2-[[2-amino-1-(2-methylphenyl)ethyl]-(cyanomethyl)amino]acetonitrile
CID 55018035
1-[(2,5-dimethylphenyl)-hydroxymethyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 79136535

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(2-methylphenyl)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[amino-(2-methylphenyl)methyl]cyclopropane-1-carbonitrile (CID 116943013) is 1-[amino-(2-methylphenyl)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[amino-(2-methylphenyl)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[amino-(2-methylphenyl)methyl]cyclopropane-1-carbonitrile is Cc1ccccc1C(N)C1(C#N)CC1.
What is the InChIKey of 1-[amino-(2-methylphenyl)methyl]cyclopropane-1-carbonitrile?
The InChIKey is BTQBZTOIIHEQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-4-2-3-5-10(9)11(14)12(8-13)6-7-12/h2-5,11H,6-7,14H2,1H3.
What are the key properties of 1-[amino-(2-methylphenyl)methyl]cyclopropane-1-carbonitrile?
1-[amino-(2-methylphenyl)methyl]cyclopropane-1-carbonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(2-methylphenyl)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 116943013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).