2-[1-(4-aminophenyl)ethylamino]-4-chlorobenzonitrile

C15H14ClN3 — CID 63081768

IUPAC2-[1-(4-aminophenyl)ethylamino]-4-chlorobenzonitrile
SMILESCC(Nc1cc(Cl)ccc1C#N)c1ccc(N)cc1
InChIInChI=1S/C15H14ClN3/c1-10(11-3-6-14(18)7-4-11)19-15-8-13(16)5-2-12(15)9-17/h2-8,10,19H,18H2,1H3
InChIKeyFPFUHJBOLNYFRD-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.97
Rot. Bonds3

About 2-[1-(4-aminophenyl)ethylamino]-4-chlorobenzonitrile

2-[1-(4-aminophenyl)ethylamino]-4-chlorobenzonitrile (PubChem CID 63081768) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-[1-(4-aminophenyl)ethylamino]-4-chlorobenzonitrile.

Molecular Properties

Compound Name2-[1-(4-aminophenyl)ethylamino]-4-chlorobenzonitrile
PubChem CID63081768
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name2-[1-(4-aminophenyl)ethylamino]-4-chlorobenzonitrile
SMILESCC(Nc1cc(Cl)ccc1C#N)c1ccc(N)cc1
InChIInChI=1S/C15H14ClN3/c1-10(11-3-6-14(18)7-4-11)19-15-8-13(16)5-2-12(15)9-17/h2-8,10,19H,18H2,1H3
InChIKeyFPFUHJBOLNYFRD-UHFFFAOYSA-N
XLogP3.97
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-aminophenyl)ethylamino]-4-methylbenzonitrile
CID 62307844
4-chloro-2-[1-(3-chloro-4-fluorophenyl)ethylamino]benzonitrile
CID 43681452
N-[1-(4-aminophenyl)ethyl]-5-chloro-2-nitroaniline
CID 116650602
5-chloro-2-[1-(4-methylphenyl)ethylamino]benzonitrile
CID 55209456
2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzonitrile
CID 62494887
4-bromo-2-[1-(4-bromophenyl)ethylamino]benzonitrile
CID 114901598
4-chloro-2-(pentan-2-ylamino)benzonitrile
CID 43681604
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 43381921
4-[1-(4-chloro-2-methylanilino)ethyl]benzonitrile
CID 43111374
2-(4-amino-2-methylanilino)-4-chlorobenzonitrile
CID 64914595
2-bromo-4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzonitrile
CID 107533400
4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile
CID 106544926

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminophenyl)ethylamino]-4-chlorobenzonitrile?
The IUPAC name of 2-[1-(4-aminophenyl)ethylamino]-4-chlorobenzonitrile (CID 63081768) is 2-[1-(4-aminophenyl)ethylamino]-4-chlorobenzonitrile.
What is the SMILES notation for 2-[1-(4-aminophenyl)ethylamino]-4-chlorobenzonitrile?
The canonical SMILES for 2-[1-(4-aminophenyl)ethylamino]-4-chlorobenzonitrile is CC(Nc1cc(Cl)ccc1C#N)c1ccc(N)cc1.
What is the InChIKey of 2-[1-(4-aminophenyl)ethylamino]-4-chlorobenzonitrile?
The InChIKey is FPFUHJBOLNYFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-10(11-3-6-14(18)7-4-11)19-15-8-13(16)5-2-12(15)9-17/h2-8,10,19H,18H2,1H3.
What are the key properties of 2-[1-(4-aminophenyl)ethylamino]-4-chlorobenzonitrile?
2-[1-(4-aminophenyl)ethylamino]-4-chlorobenzonitrile has a molecular weight of 271.75 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-aminophenyl)ethylamino]-4-chlorobenzonitrile is sourced from PubChem (CID 63081768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).