4-[[4-(methylamino)phenyl]methyl]benzonitrile

C15H14N2 — CID 147207222

IUPAC4-[[4-(methylamino)phenyl]methyl]benzonitrile
SMILESCNc1ccc(Cc2ccc(C#N)cc2)cc1
InChIInChI=1S/C15H14N2/c1-17-15-8-6-13(7-9-15)10-12-2-4-14(11-16)5-3-12/h2-9,17H,10H2,1H3
InChIKeyCEMSUBZXRMUILY-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.19
Rot. Bonds3

About 4-[[4-(methylamino)phenyl]methyl]benzonitrile

4-[[4-(methylamino)phenyl]methyl]benzonitrile (PubChem CID 147207222) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[[4-(methylamino)phenyl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[4-(methylamino)phenyl]methyl]benzonitrile
PubChem CID147207222
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name4-[[4-(methylamino)phenyl]methyl]benzonitrile
SMILESCNc1ccc(Cc2ccc(C#N)cc2)cc1
InChIInChI=1S/C15H14N2/c1-17-15-8-6-13(7-9-15)10-12-2-4-14(11-16)5-3-12/h2-9,17H,10H2,1H3
InChIKeyCEMSUBZXRMUILY-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
CID 15735
4-[[4-(4-cyanophenyl)phenyl]methyl]benzonitrile
CID 71089118
4-[4-(methylamino)phenoxy]benzonitrile
CID 15622757
4-[[4-[4-(methylamino)butyl]phenyl]methyl]benzonitrile
CID 143700295
4-hexoxybenzonitrile;4-hexoxy-N-methylaniline
CID 174889691
3-[4-(methylamino)phenyl]propanenitrile
CID 131609769
N-methyl-4-[(4-propylphenyl)methyl]aniline
CID 116926083
4-[2-(methylamino)ethyl]benzonitrile;hydrochloride
CID 134690729
N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61027849
4-(ethenylamino)benzonitrile
CID 89387089
N-methylmethanamine;4-prop-2-enylbenzonitrile
CID 142157746
N-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide
CID 104641090

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methylamino)phenyl]methyl]benzonitrile?
The IUPAC name of 4-[[4-(methylamino)phenyl]methyl]benzonitrile (CID 147207222) is 4-[[4-(methylamino)phenyl]methyl]benzonitrile.
What is the SMILES notation for 4-[[4-(methylamino)phenyl]methyl]benzonitrile?
The canonical SMILES for 4-[[4-(methylamino)phenyl]methyl]benzonitrile is CNc1ccc(Cc2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[[4-(methylamino)phenyl]methyl]benzonitrile?
The InChIKey is CEMSUBZXRMUILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-17-15-8-6-13(7-9-15)10-12-2-4-14(11-16)5-3-12/h2-9,17H,10H2,1H3.
What are the key properties of 4-[[4-(methylamino)phenyl]methyl]benzonitrile?
4-[[4-(methylamino)phenyl]methyl]benzonitrile has a molecular weight of 222.29 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methylamino)phenyl]methyl]benzonitrile is sourced from PubChem (CID 147207222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).