4-[[ethyl(methyl)amino]methyl]benzonitrile

C11H14N2 — CID 43247494

IUPAC4-[[ethyl(methyl)amino]methyl]benzonitrile
SMILESCCN(C)Cc1ccc(C#N)cc1
InChIInChI=1S/C11H14N2/c1-3-13(2)9-11-6-4-10(8-12)5-7-11/h4-7H,3,9H2,1-2H3
InChIKeyPQYFGVWDCGFNED-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.01
Rot. Bonds3

About 4-[[ethyl(methyl)amino]methyl]benzonitrile

4-[[ethyl(methyl)amino]methyl]benzonitrile (PubChem CID 43247494) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 4-[[ethyl(methyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[ethyl(methyl)amino]methyl]benzonitrile
PubChem CID43247494
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name4-[[ethyl(methyl)amino]methyl]benzonitrile
SMILESCCN(C)Cc1ccc(C#N)cc1
InChIInChI=1S/C11H14N2/c1-3-13(2)9-11-6-4-10(8-12)5-7-11/h4-7H,3,9H2,1-2H3
InChIKeyPQYFGVWDCGFNED-UHFFFAOYSA-N
XLogP2.01
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzonitrile
CID 55149643
4-[[(3-aminophenyl)methyl-methylamino]methyl]benzonitrile
CID 43457946
2-[(4-cyanophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 60968945
N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine
CID 58518810
N-[(4-cyanophenyl)methyl]-N-methylbutanamide
CID 60737799
4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile
CID 63957000
2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 8912475
4-ethylbenzonitrile;fluoromethane
CID 143083977
[4-[[ethyl(methyl)amino]methyl]phenyl]methyl-trimethylazanium
CID 22889878
3-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluorobenzonitrile
CID 60703913
1-bromo-N-[(4-cyanophenyl)methyl]-N-methylmethanesulfonamide
CID 83083709
4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile
CID 56721825

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(methyl)amino]methyl]benzonitrile?
The IUPAC name of 4-[[ethyl(methyl)amino]methyl]benzonitrile (CID 43247494) is 4-[[ethyl(methyl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[ethyl(methyl)amino]methyl]benzonitrile?
The canonical SMILES for 4-[[ethyl(methyl)amino]methyl]benzonitrile is CCN(C)Cc1ccc(C#N)cc1.
What is the InChIKey of 4-[[ethyl(methyl)amino]methyl]benzonitrile?
The InChIKey is PQYFGVWDCGFNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-13(2)9-11-6-4-10(8-12)5-7-11/h4-7H,3,9H2,1-2H3.
What are the key properties of 4-[[ethyl(methyl)amino]methyl]benzonitrile?
4-[[ethyl(methyl)amino]methyl]benzonitrile has a molecular weight of 174.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(methyl)amino]methyl]benzonitrile is sourced from PubChem (CID 43247494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).