3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine

C18H21BrClN — CID 79433426

IUPAC3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccccc1Br)c1cccc(Cl)c1
InChIInChI=1S/C18H21BrClN/c1-2-10-21-13-16(14-7-5-8-17(20)12-14)11-15-6-3-4-9-18(15)19/h3-9,12,16,21H,2,10-11,13H2,1H3
InChIKeySLXZOKUVKQTDRL-UHFFFAOYSA-N
MW366.73 g/mol
LogP5.43
Rot. Bonds7

About 3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine

3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine (PubChem CID 79433426) has the molecular formula C18H21BrClN and a molecular weight of 366.73 g/mol. Its IUPAC name is 3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine
PubChem CID79433426
Molecular FormulaC18H21BrClN
Molecular Weight366.73 g/mol
Exact Mass365.05
IUPAC Name3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccccc1Br)c1cccc(Cl)c1
InChIInChI=1S/C18H21BrClN/c1-2-10-21-13-16(14-7-5-8-17(20)12-14)11-15-6-3-4-9-18(15)19/h3-9,12,16,21H,2,10-11,13H2,1H3
InChIKeySLXZOKUVKQTDRL-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.73
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-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

3-(2-bromophenyl)-2-(2-chlorophenyl)-N-propylpropan-1-amine
CID 79436032
2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79433408
2-(3-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79443388
3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 79441626
3-(2-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416750
2-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79443167
2-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-1-amine
CID 79443240
2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 82872115
2-(3-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79443251
3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine
CID 79443317
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine
CID 79432118
2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79430229

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine (CID 79433426) is 3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine is CCCNCC(Cc1ccccc1Br)c1cccc(Cl)c1.
What is the InChIKey of 3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine?
The InChIKey is SLXZOKUVKQTDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrClN/c1-2-10-21-13-16(14-7-5-8-17(20)12-14)11-15-6-3-4-9-18(15)19/h3-9,12,16,21H,2,10-11,13H2,1H3.
What are the key properties of 3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine?
3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine has a molecular weight of 366.73 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 79433426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).