2-methyl-3-[1-(2-methylphenyl)ethylamino]propanenitrile

C13H18N2 — CID 60647997

IUPAC2-methyl-3-[1-(2-methylphenyl)ethylamino]propanenitrile
SMILESCc1ccccc1C(C)NCC(C)C#N
InChIInChI=1S/C13H18N2/c1-10(8-14)9-15-12(3)13-7-5-4-6-11(13)2/h4-7,10,12,15H,9H2,1-3H3
InChIKeyZWSCVOSYJDBUQN-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.81
Rot. Bonds4

About 2-methyl-3-[1-(2-methylphenyl)ethylamino]propanenitrile

2-methyl-3-[1-(2-methylphenyl)ethylamino]propanenitrile (PubChem CID 60647997) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-methyl-3-[1-(2-methylphenyl)ethylamino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[1-(2-methylphenyl)ethylamino]propanenitrile
PubChem CID60647997
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-methyl-3-[1-(2-methylphenyl)ethylamino]propanenitrile
SMILESCc1ccccc1C(C)NCC(C)C#N
InChIInChI=1S/C13H18N2/c1-10(8-14)9-15-12(3)13-7-5-4-6-11(13)2/h4-7,10,12,15H,9H2,1-3H3
InChIKeyZWSCVOSYJDBUQN-UHFFFAOYSA-N
XLogP2.81
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[[(2-methylphenyl)-phenylmethyl]amino]propanenitrile
CID 79471754
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
CID 81375054
3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine
CID 102904031
4-[[(1S)-1-(2-methylphenyl)ethyl]amino]butanenitrile
CID 81374879
3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 104881788
5-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]thiophene-2-carbonitrile
CID 104865144
4-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 28652871
2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 107935967
(2S)-2-methyl-3-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]amino]propanenitrile
CID 94161296
3-[1-(2,4-dihydroxyphenyl)ethylamino]-2-methylpropanenitrile
CID 62648148
2-amino-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid
CID 103258125
2-amino-3-[1-(2-methylphenyl)ethylamino]propanamide
CID 103246227

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(2-methylphenyl)ethylamino]propanenitrile?
The IUPAC name of 2-methyl-3-[1-(2-methylphenyl)ethylamino]propanenitrile (CID 60647997) is 2-methyl-3-[1-(2-methylphenyl)ethylamino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[1-(2-methylphenyl)ethylamino]propanenitrile?
The canonical SMILES for 2-methyl-3-[1-(2-methylphenyl)ethylamino]propanenitrile is Cc1ccccc1C(C)NCC(C)C#N.
What is the InChIKey of 2-methyl-3-[1-(2-methylphenyl)ethylamino]propanenitrile?
The InChIKey is ZWSCVOSYJDBUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10(8-14)9-15-12(3)13-7-5-4-6-11(13)2/h4-7,10,12,15H,9H2,1-3H3.
What are the key properties of 2-methyl-3-[1-(2-methylphenyl)ethylamino]propanenitrile?
2-methyl-3-[1-(2-methylphenyl)ethylamino]propanenitrile has a molecular weight of 202.30 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(2-methylphenyl)ethylamino]propanenitrile is sourced from PubChem (CID 60647997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).