3-[2-(2-methylphenyl)ethylamino]-3-phenylpropanenitrile

C18H20N2 — CID 79749127

IUPAC3-[2-(2-methylphenyl)ethylamino]-3-phenylpropanenitrile
SMILESCc1ccccc1CCNC(CC#N)c1ccccc1
InChIInChI=1S/C18H20N2/c1-15-7-5-6-8-16(15)12-14-20-18(11-13-19)17-9-3-2-4-10-17/h2-10,18,20H,11-12,14H2,1H3
InChIKeyIQUVMQNMNVNEQF-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.78
Rot. Bonds6

About 3-[2-(2-methylphenyl)ethylamino]-3-phenylpropanenitrile

3-[2-(2-methylphenyl)ethylamino]-3-phenylpropanenitrile (PubChem CID 79749127) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[2-(2-methylphenyl)ethylamino]-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-[2-(2-methylphenyl)ethylamino]-3-phenylpropanenitrile
PubChem CID79749127
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name3-[2-(2-methylphenyl)ethylamino]-3-phenylpropanenitrile
SMILESCc1ccccc1CCNC(CC#N)c1ccccc1
InChIInChI=1S/C18H20N2/c1-15-7-5-6-8-16(15)12-14-20-18(11-13-19)17-9-3-2-4-10-17/h2-10,18,20H,11-12,14H2,1H3
InChIKeyIQUVMQNMNVNEQF-UHFFFAOYSA-N
XLogP3.78
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-methylphenyl)methylamino]-3-phenylpropanenitrile
CID 55117724
3-(3,4-dimethylanilino)-3-phenylpropanenitrile
CID 55117815
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-3-phenylpropanenitrile
CID 106417143
3-(pent-3-ynylamino)-3-phenylpropanenitrile
CID 116643737
3-[2-(1-methylpyrazol-4-yl)ethylamino]-3-phenylpropanenitrile
CID 80689488
3-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanenitrile
CID 62780401
3-[(3-methyl-2-propan-2-ylbutyl)amino]-3-phenylpropanenitrile
CID 102905343
N-[2-(2-methylphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 54807564
3-[methyl-[(2-methylphenyl)methyl]amino]butanenitrile
CID 61360593
3-(2-methylsulfanylanilino)-3-phenylpropanenitrile
CID 107644742
3-(2-methylbutylamino)-3-phenylpropanenitrile
CID 62778386
3-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanenitrile
CID 62778213

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylphenyl)ethylamino]-3-phenylpropanenitrile?
The IUPAC name of 3-[2-(2-methylphenyl)ethylamino]-3-phenylpropanenitrile (CID 79749127) is 3-[2-(2-methylphenyl)ethylamino]-3-phenylpropanenitrile.
What is the SMILES notation for 3-[2-(2-methylphenyl)ethylamino]-3-phenylpropanenitrile?
The canonical SMILES for 3-[2-(2-methylphenyl)ethylamino]-3-phenylpropanenitrile is Cc1ccccc1CCNC(CC#N)c1ccccc1.
What is the InChIKey of 3-[2-(2-methylphenyl)ethylamino]-3-phenylpropanenitrile?
The InChIKey is IQUVMQNMNVNEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-15-7-5-6-8-16(15)12-14-20-18(11-13-19)17-9-3-2-4-10-17/h2-10,18,20H,11-12,14H2,1H3.
What are the key properties of 3-[2-(2-methylphenyl)ethylamino]-3-phenylpropanenitrile?
3-[2-(2-methylphenyl)ethylamino]-3-phenylpropanenitrile has a molecular weight of 264.37 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylphenyl)ethylamino]-3-phenylpropanenitrile is sourced from PubChem (CID 79749127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).