1-[3-(2-bromophenyl)phenyl]-N-ethylpropan-1-amine

C17H20BrN — CID 115503597

IUPAC1-[3-(2-bromophenyl)phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cccc(-c2ccccc2Br)c1
InChIInChI=1S/C17H20BrN/c1-3-17(19-4-2)14-9-7-8-13(12-14)15-10-5-6-11-16(15)18/h5-12,17,19H,3-4H2,1-2H3
InChIKeyARPNTGUPCNPUGC-UHFFFAOYSA-N
MW318.26 g/mol
LogP5.18
Rot. Bonds5

About 1-[3-(2-bromophenyl)phenyl]-N-ethylpropan-1-amine

1-[3-(2-bromophenyl)phenyl]-N-ethylpropan-1-amine (PubChem CID 115503597) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-[3-(2-bromophenyl)phenyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(2-bromophenyl)phenyl]-N-ethylpropan-1-amine
PubChem CID115503597
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name1-[3-(2-bromophenyl)phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cccc(-c2ccccc2Br)c1
InChIInChI=1S/C17H20BrN/c1-3-17(19-4-2)14-9-7-8-13(12-14)15-10-5-6-11-16(15)18/h5-12,17,19H,3-4H2,1-2H3
InChIKeyARPNTGUPCNPUGC-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.26
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[3-(2-bromophenyl)phenyl]-N-ethylpropan-1-amine 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

1-[3-(2,3-dichlorophenyl)phenyl]-N-ethylpropan-1-amine
CID 63424026
1-[3-(2,4-difluoro-5-methylphenyl)phenyl]-N-ethylpropan-1-amine
CID 79735816
N-ethyl-1-(3-pyridin-2-ylphenyl)propan-1-amine
CID 63678693
N-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]propan-1-amine
CID 63423816
1-[3-(2-chloro-4,5-difluorophenyl)phenyl]-N-ethylpropan-1-amine
CID 107476919
1-[4-(2-bromophenyl)phenyl]-N-methylpropan-1-amine
CID 113324609
N-methyl-1-(3-phenylphenyl)propan-1-amine
CID 54912079
1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
CID 79575057
1-[3-(2,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine
CID 63424386
1-[3-(2,5-difluorophenyl)phenyl]-N-propylpropan-1-amine
CID 63424857
N-methyl-1-[3-(2,4,5-trimethylphenyl)phenyl]propan-1-amine
CID 64984941
1-[3-(2-ethoxyphenyl)phenyl]-N-ethylethanamine
CID 62801214

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-bromophenyl)phenyl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[3-(2-bromophenyl)phenyl]-N-ethylpropan-1-amine (CID 115503597) is 1-[3-(2-bromophenyl)phenyl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[3-(2-bromophenyl)phenyl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[3-(2-bromophenyl)phenyl]-N-ethylpropan-1-amine is CCNC(CC)c1cccc(-c2ccccc2Br)c1.
What is the InChIKey of 1-[3-(2-bromophenyl)phenyl]-N-ethylpropan-1-amine?
The InChIKey is ARPNTGUPCNPUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-3-17(19-4-2)14-9-7-8-13(12-14)15-10-5-6-11-16(15)18/h5-12,17,19H,3-4H2,1-2H3.
What are the key properties of 1-[3-(2-bromophenyl)phenyl]-N-ethylpropan-1-amine?
1-[3-(2-bromophenyl)phenyl]-N-ethylpropan-1-amine has a molecular weight of 318.26 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-bromophenyl)phenyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 115503597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).