4-[2-(4-phenylphenyl)ethylamino]butanenitrile

C18H20N2 — CID 115231915

IUPAC4-[2-(4-phenylphenyl)ethylamino]butanenitrile
SMILESN#CCCCNCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H20N2/c19-13-4-5-14-20-15-12-16-8-10-18(11-9-16)17-6-2-1-3-7-17/h1-3,6-11,20H,4-5,12,14-15H2
InChIKeyNQZGTRYNWCGDCZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.79
Rot. Bonds7

About 4-[2-(4-phenylphenyl)ethylamino]butanenitrile

4-[2-(4-phenylphenyl)ethylamino]butanenitrile (PubChem CID 115231915) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[2-(4-phenylphenyl)ethylamino]butanenitrile.

Molecular Properties

Compound Name4-[2-(4-phenylphenyl)ethylamino]butanenitrile
PubChem CID115231915
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name4-[2-(4-phenylphenyl)ethylamino]butanenitrile
SMILESN#CCCCNCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H20N2/c19-13-4-5-14-20-15-12-16-8-10-18(11-9-16)17-6-2-1-3-7-17/h1-3,6-11,20H,4-5,12,14-15H2
InChIKeyNQZGTRYNWCGDCZ-UHFFFAOYSA-N
XLogP3.79
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-ethylphenyl)ethylamino]butanenitrile
CID 115231880
4-(2-naphthalen-2-ylethylamino)butanenitrile
CID 115231991
3-[2-(4-phenylphenyl)ethylamino]propan-1-ol
CID 115217026
4-[2-(4-tert-butylphenyl)ethylamino]butanenitrile
CID 115231882
4-[2-(4-ethylsulfanylphenyl)ethylamino]butanenitrile
CID 115231954
N-(2-methoxyethyl)-2-(4-phenylphenyl)ethanamine
CID 64866230
4-(3-phenoxypropylamino)butanenitrile
CID 60696999
N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
N,N'-bis(2-phenylethyl)heptane-1,7-diamine;dihydrobromide
CID 3028511
N-[(4-phenylphenyl)methyl]pent-4-yn-1-amine
CID 103701650
2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine
CID 65454764

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-phenylphenyl)ethylamino]butanenitrile?
The IUPAC name of 4-[2-(4-phenylphenyl)ethylamino]butanenitrile (CID 115231915) is 4-[2-(4-phenylphenyl)ethylamino]butanenitrile.
What is the SMILES notation for 4-[2-(4-phenylphenyl)ethylamino]butanenitrile?
The canonical SMILES for 4-[2-(4-phenylphenyl)ethylamino]butanenitrile is N#CCCCNCCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-[2-(4-phenylphenyl)ethylamino]butanenitrile?
The InChIKey is NQZGTRYNWCGDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c19-13-4-5-14-20-15-12-16-8-10-18(11-9-16)17-6-2-1-3-7-17/h1-3,6-11,20H,4-5,12,14-15H2.
What are the key properties of 4-[2-(4-phenylphenyl)ethylamino]butanenitrile?
4-[2-(4-phenylphenyl)ethylamino]butanenitrile has a molecular weight of 264.37 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-phenylphenyl)ethylamino]butanenitrile is sourced from PubChem (CID 115231915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).