3-[1-(4-ethylphenyl)propylamino]benzonitrile

C18H20N2 — CID 43309948

IUPAC3-[1-(4-ethylphenyl)propylamino]benzonitrile
SMILESCCc1ccc(C(CC)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C18H20N2/c1-3-14-8-10-16(11-9-14)18(4-2)20-17-7-5-6-15(12-17)13-19/h5-12,18,20H,3-4H2,1-2H3
InChIKeyMHACJUXFKSKMSU-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.68
Rot. Bonds5

About 3-[1-(4-ethylphenyl)propylamino]benzonitrile

3-[1-(4-ethylphenyl)propylamino]benzonitrile (PubChem CID 43309948) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[1-(4-ethylphenyl)propylamino]benzonitrile.

Molecular Properties

Compound Name3-[1-(4-ethylphenyl)propylamino]benzonitrile
PubChem CID43309948
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name3-[1-(4-ethylphenyl)propylamino]benzonitrile
SMILESCCc1ccc(C(CC)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C18H20N2/c1-3-14-8-10-16(11-9-14)18(4-2)20-17-7-5-6-15(12-17)13-19/h5-12,18,20H,3-4H2,1-2H3
InChIKeyMHACJUXFKSKMSU-UHFFFAOYSA-N
XLogP4.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethynyl-N-[1-(4-methylphenyl)propyl]aniline
CID 43109716
3-(1-phenylhexylamino)benzonitrile
CID 43762515
3-[1-(5-bromo-2-hydroxyphenyl)propylamino]benzonitrile
CID 43194419
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
3-[[(2S)-2-methylbutyl]amino]benzonitrile
CID 28615968
3-(1-cyclopropylpropylamino)benzonitrile
CID 64918582
3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline
CID 63464250
3-[[1-(4-fluorophenyl)-4-methoxybutyl]amino]benzonitrile
CID 126821706
N-[1-(4-ethylphenyl)propyl]-4-iodoaniline
CID 43310116
3-[1-(3-cyanoanilino)ethyl]benzonitrile
CID 43762552
2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol
CID 107678033
3-[4-[1-(ethylamino)propyl]phenyl]benzonitrile
CID 61026220

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethylphenyl)propylamino]benzonitrile?
The IUPAC name of 3-[1-(4-ethylphenyl)propylamino]benzonitrile (CID 43309948) is 3-[1-(4-ethylphenyl)propylamino]benzonitrile.
What is the SMILES notation for 3-[1-(4-ethylphenyl)propylamino]benzonitrile?
The canonical SMILES for 3-[1-(4-ethylphenyl)propylamino]benzonitrile is CCc1ccc(C(CC)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of 3-[1-(4-ethylphenyl)propylamino]benzonitrile?
The InChIKey is MHACJUXFKSKMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-3-14-8-10-16(11-9-14)18(4-2)20-17-7-5-6-15(12-17)13-19/h5-12,18,20H,3-4H2,1-2H3.
What are the key properties of 3-[1-(4-ethylphenyl)propylamino]benzonitrile?
3-[1-(4-ethylphenyl)propylamino]benzonitrile has a molecular weight of 264.37 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethylphenyl)propylamino]benzonitrile is sourced from PubChem (CID 43309948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).