3-methyl-4-[[methyl(2-phenylethyl)amino]methyl]benzonitrile

C18H20N2 — CID 114481231

IUPAC3-methyl-4-[[methyl(2-phenylethyl)amino]methyl]benzonitrile
SMILESCc1cc(C#N)ccc1CN(C)CCc1ccccc1
InChIInChI=1S/C18H20N2/c1-15-12-17(13-19)8-9-18(15)14-20(2)11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,14H2,1-2H3
InChIKeySZSNKYPPXHFSQG-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.54
Rot. Bonds5

About 3-methyl-4-[[methyl(2-phenylethyl)amino]methyl]benzonitrile

3-methyl-4-[[methyl(2-phenylethyl)amino]methyl]benzonitrile (PubChem CID 114481231) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-methyl-4-[[methyl(2-phenylethyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-methyl-4-[[methyl(2-phenylethyl)amino]methyl]benzonitrile
PubChem CID114481231
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name3-methyl-4-[[methyl(2-phenylethyl)amino]methyl]benzonitrile
SMILESCc1cc(C#N)ccc1CN(C)CCc1ccccc1
InChIInChI=1S/C18H20N2/c1-15-12-17(13-19)8-9-18(15)14-20(2)11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,14H2,1-2H3
InChIKeySZSNKYPPXHFSQG-UHFFFAOYSA-N
XLogP3.54
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile
CID 5253461
4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzonitrile
CID 114484816
3-methyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzonitrile
CID 114480999
4-[[2-hydroxypropyl(methyl)amino]methyl]-3-methylbenzonitrile
CID 114481157
3-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzonitrile
CID 102665321
4-[(N-butylanilino)methyl]-3-methylbenzonitrile
CID 114481226
3-methyl-4-[[methyl(propan-2-yl)amino]methyl]benzonitrile
CID 114480950
4-[(2-fluoro-N-methylanilino)methyl]-3-methylbenzonitrile
CID 114481147
3-methyl-4-[(4-phenylbutan-2-ylamino)methyl]benzonitrile
CID 114480136
2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 65486668
3-[[methyl-[2-(4-nitrophenyl)ethyl]amino]methyl]benzonitrile
CID 47055051
2-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 23507547

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[methyl(2-phenylethyl)amino]methyl]benzonitrile?
The IUPAC name of 3-methyl-4-[[methyl(2-phenylethyl)amino]methyl]benzonitrile (CID 114481231) is 3-methyl-4-[[methyl(2-phenylethyl)amino]methyl]benzonitrile.
What is the SMILES notation for 3-methyl-4-[[methyl(2-phenylethyl)amino]methyl]benzonitrile?
The canonical SMILES for 3-methyl-4-[[methyl(2-phenylethyl)amino]methyl]benzonitrile is Cc1cc(C#N)ccc1CN(C)CCc1ccccc1.
What is the InChIKey of 3-methyl-4-[[methyl(2-phenylethyl)amino]methyl]benzonitrile?
The InChIKey is SZSNKYPPXHFSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-15-12-17(13-19)8-9-18(15)14-20(2)11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,14H2,1-2H3.
What are the key properties of 3-methyl-4-[[methyl(2-phenylethyl)amino]methyl]benzonitrile?
3-methyl-4-[[methyl(2-phenylethyl)amino]methyl]benzonitrile has a molecular weight of 264.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[methyl(2-phenylethyl)amino]methyl]benzonitrile is sourced from PubChem (CID 114481231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).