2-[4-[1-(4-bromophenyl)ethylamino]phenyl]acetonitrile

C16H15BrN2 — CID 43722207

IUPAC2-[4-[1-(4-bromophenyl)ethylamino]phenyl]acetonitrile
SMILESCC(Nc1ccc(CC#N)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2/c1-12(14-4-6-15(17)7-5-14)19-16-8-2-13(3-9-16)10-11-18/h2-9,12,19H,10H2,1H3
InChIKeyHLKZLEDCNPWCNV-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.69
Rot. Bonds4

About 2-[4-[1-(4-bromophenyl)ethylamino]phenyl]acetonitrile

2-[4-[1-(4-bromophenyl)ethylamino]phenyl]acetonitrile (PubChem CID 43722207) has the molecular formula C16H15BrN2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-[4-[1-(4-bromophenyl)ethylamino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[1-(4-bromophenyl)ethylamino]phenyl]acetonitrile
PubChem CID43722207
Molecular FormulaC16H15BrN2
Molecular Weight315.21 g/mol
Exact Mass314.04
IUPAC Name2-[4-[1-(4-bromophenyl)ethylamino]phenyl]acetonitrile
SMILESCC(Nc1ccc(CC#N)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2/c1-12(14-4-6-15(17)7-5-14)19-16-8-2-13(3-9-16)10-11-18/h2-9,12,19H,10H2,1H3
InChIKeyHLKZLEDCNPWCNV-UHFFFAOYSA-N
XLogP4.69
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[1-(4-bromophenyl)ethylamino]phenyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[1-(4-chlorophenyl)ethylamino]phenyl]acetonitrile
CID 43722208
2-[4-(1-pyridin-4-ylethylamino)phenyl]acetonitrile
CID 43722275
2-(4-bromophenyl)acetonitrile;2-(4-bromophenyl)propanenitrile
CID 159482863
2-[4-(1-pyridin-3-ylethylamino)phenyl]acetonitrile
CID 43722276
2-[4-(3-methylbutan-2-ylamino)phenyl]acetonitrile
CID 43722269
2-[4-[1-(2,4,5-trimethylphenyl)ethylamino]phenyl]acetonitrile
CID 43722122
2-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetonitrile
CID 43722297
2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile
CID 102868708
4-[1-(4-cyanoanilino)ethyl]benzonitrile
CID 43195294
4-[1-(4-bromophenyl)ethylamino]-2-chlorobenzonitrile
CID 43348025
2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile
CID 43786451
2-[4-[1-(2-hydroxy-5-methylphenyl)ethylamino]phenyl]acetonitrile
CID 43722347

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-bromophenyl)ethylamino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[1-(4-bromophenyl)ethylamino]phenyl]acetonitrile (CID 43722207) is 2-[4-[1-(4-bromophenyl)ethylamino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[1-(4-bromophenyl)ethylamino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[1-(4-bromophenyl)ethylamino]phenyl]acetonitrile is CC(Nc1ccc(CC#N)cc1)c1ccc(Br)cc1.
What is the InChIKey of 2-[4-[1-(4-bromophenyl)ethylamino]phenyl]acetonitrile?
The InChIKey is HLKZLEDCNPWCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2/c1-12(14-4-6-15(17)7-5-14)19-16-8-2-13(3-9-16)10-11-18/h2-9,12,19H,10H2,1H3.
What are the key properties of 2-[4-[1-(4-bromophenyl)ethylamino]phenyl]acetonitrile?
2-[4-[1-(4-bromophenyl)ethylamino]phenyl]acetonitrile has a molecular weight of 315.21 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-bromophenyl)ethylamino]phenyl]acetonitrile is sourced from PubChem (CID 43722207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).