4-(benzylamino)-2-methylbenzonitrile

C15H14N2 — CID 81272992

IUPAC4-(benzylamino)-2-methylbenzonitrile
SMILESCc1cc(NCc2ccccc2)ccc1C#N
InChIInChI=1S/C15H14N2/c1-12-9-15(8-7-14(12)10-16)17-11-13-5-3-2-4-6-13/h2-9,17H,11H2,1H3
InChIKeyXBJAZOBONIMZHI-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.48
Rot. Bonds3

About 4-(benzylamino)-2-methylbenzonitrile

4-(benzylamino)-2-methylbenzonitrile (PubChem CID 81272992) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(benzylamino)-2-methylbenzonitrile.

Molecular Properties

Compound Name4-(benzylamino)-2-methylbenzonitrile
PubChem CID81272992
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name4-(benzylamino)-2-methylbenzonitrile
SMILESCc1cc(NCc2ccccc2)ccc1C#N
InChIInChI=1S/C15H14N2/c1-12-9-15(8-7-14(12)10-16)17-11-13-5-3-2-4-6-13/h2-9,17H,11H2,1H3
InChIKeyXBJAZOBONIMZHI-UHFFFAOYSA-N
XLogP3.48
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(2-phenylethylamino)benzonitrile
CID 81273543
2-methyl-4-(pyridin-4-ylmethylamino)benzonitrile
CID 81274455
2-methyl-4-[(4-methylsulfonylphenyl)methylamino]benzonitrile
CID 81269901
2-methyl-4-(pyridin-2-ylmethylamino)benzonitrile
CID 81272878
2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]benzonitrile
CID 81274208
4-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylbenzonitrile
CID 81269742
4-[(2-amino-2-methylpropyl)amino]-2-methylbenzonitrile
CID 115303800
N-benzyl-4-cyano-3-methylbenzenesulfonamide
CID 106832859
N-benzyl-3-chloro-4-methylaniline
CID 18778604
4-[(4-cyano-3-methylanilino)methyl]-3-fluorobenzonitrile
CID 81273859
2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile
CID 114183772
N-benzyl-4-bromo-3,5-dimethylaniline
CID 107572244

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-2-methylbenzonitrile?
The IUPAC name of 4-(benzylamino)-2-methylbenzonitrile (CID 81272992) is 4-(benzylamino)-2-methylbenzonitrile.
What is the SMILES notation for 4-(benzylamino)-2-methylbenzonitrile?
The canonical SMILES for 4-(benzylamino)-2-methylbenzonitrile is Cc1cc(NCc2ccccc2)ccc1C#N.
What is the InChIKey of 4-(benzylamino)-2-methylbenzonitrile?
The InChIKey is XBJAZOBONIMZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-12-9-15(8-7-14(12)10-16)17-11-13-5-3-2-4-6-13/h2-9,17H,11H2,1H3.
What are the key properties of 4-(benzylamino)-2-methylbenzonitrile?
4-(benzylamino)-2-methylbenzonitrile has a molecular weight of 222.29 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-2-methylbenzonitrile is sourced from PubChem (CID 81272992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).