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

C17H18N2 — CID 5253461

IUPAC3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile
SMILESCN(CCc1ccccc1)Cc1cccc(C#N)c1
InChIInChI=1S/C17H18N2/c1-19(11-10-15-6-3-2-4-7-15)14-17-9-5-8-16(12-17)13-18/h2-9,12H,10-11,14H2,1H3
InChIKeyUIPXZOWTBIEORV-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.23
Rot. Bonds5

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

3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile (PubChem CID 5253461) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile
PubChem CID5253461
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile
SMILESCN(CCc1ccccc1)Cc1cccc(C#N)c1
InChIInChI=1S/C17H18N2/c1-19(11-10-15-6-3-2-4-7-15)14-17-9-5-8-16(12-17)13-18/h2-9,12H,10-11,14H2,1H3
InChIKeyUIPXZOWTBIEORV-UHFFFAOYSA-N
XLogP3.23
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[methyl-[2-(4-nitrophenyl)ethyl]amino]methyl]benzonitrile
CID 47055051
3-[[methyl-[3-(2-phenylethoxy)propyl]amino]methyl]benzonitrile
CID 87013174
3-[[methyl(2-phenoxyethyl)amino]methyl]benzonitrile
CID 60641547
3-[[methyl-[2-[(R)-phenylsulfinyl]ethyl]amino]methyl]benzonitrile
CID 95301960
3-[[methyl(pentyl)amino]methyl]benzonitrile
CID 43294880
3-methyl-4-[[methyl(2-phenylethyl)amino]methyl]benzonitrile
CID 114481231
3-[[(3-cyanophenyl)methyl-methylamino]methyl]benzoic acid
CID 62970028
N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
3-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]benzonitrile
CID 20628499
3-[[(2-hydroxy-2-phenylpropyl)-methylamino]methyl]benzonitrile
CID 62968644
3-[[3-[benzyl(methyl)amino]propylamino]methyl]benzonitrile
CID 43824534
3-[(dibenzylamino)methyl]benzonitrile
CID 39161516

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile?
The IUPAC name of 3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile (CID 5253461) is 3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile.
What is the SMILES notation for 3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile?
The canonical SMILES for 3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile is CN(CCc1ccccc1)Cc1cccc(C#N)c1.
What is the InChIKey of 3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile?
The InChIKey is UIPXZOWTBIEORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-19(11-10-15-6-3-2-4-7-15)14-17-9-5-8-16(12-17)13-18/h2-9,12H,10-11,14H2,1H3.
What are the key properties of 3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile?
3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile has a molecular weight of 250.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile is sourced from PubChem (CID 5253461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).