2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile

C17H18N2 — CID 107935967

IUPAC2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile
SMILESCc1ccccc1[C@@H](C)NCc1ccccc1C#N
InChIInChI=1S/C17H18N2/c1-13-7-3-6-10-17(13)14(2)19-12-16-9-5-4-8-15(16)11-18/h3-10,14,19H,12H2,1-2H3/t14-/m1/s1
InChIKeyQCQDVVNYOAFPJG-CQSZACIVSA-N
MW250.35 g/mol
LogP3.72
Rot. Bonds4

About 2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile

2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile (PubChem CID 107935967) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile
PubChem CID107935967
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile
SMILESCc1ccccc1[C@@H](C)NCc1ccccc1C#N
InChIInChI=1S/C17H18N2/c1-13-7-3-6-10-17(13)14(2)19-12-16-9-5-4-8-15(16)11-18/h3-10,14,19H,12H2,1-2H3/t14-/m1/s1
InChIKeyQCQDVVNYOAFPJG-CQSZACIVSA-N
XLogP3.72
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzonitrile
CID 103851300
2-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]benzonitrile
CID 42921657
4-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 28652871
2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile
CID 43401659
2-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]benzonitrile
CID 107935975
2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile
CID 60693747
2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile
CID 103912410
2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile
CID 93034581
2-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 43178628
(1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652621
5-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]thiophene-2-carbonitrile
CID 104865144
2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzoic acid
CID 103258145

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile?
The IUPAC name of 2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile (CID 107935967) is 2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile.
What is the SMILES notation for 2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile?
The canonical SMILES for 2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile is Cc1ccccc1[C@@H](C)NCc1ccccc1C#N.
What is the InChIKey of 2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile?
The InChIKey is QCQDVVNYOAFPJG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N2/c1-13-7-3-6-10-17(13)14(2)19-12-16-9-5-4-8-15(16)11-18/h3-10,14,19H,12H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile?
2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile has a molecular weight of 250.35 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile is sourced from PubChem (CID 107935967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).