1-(4-bromophenyl)-N-[3-(4-chlorophenyl)propyl]propan-2-amine

C18H21BrClN — CID 155119485

IUPAC1-(4-bromophenyl)-N-[3-(4-chlorophenyl)propyl]propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NCCCc1ccc(Cl)cc1
InChIInChI=1S/C18H21BrClN/c1-14(13-16-4-8-17(19)9-5-16)21-12-2-3-15-6-10-18(20)11-7-15/h4-11,14,21H,2-3,12-13H2,1H3
InChIKeyGXIVQEVFKUPRGE-UHFFFAOYSA-N
MW366.73 g/mol
LogP5.26
Rot. Bonds7

About 1-(4-bromophenyl)-N-[3-(4-chlorophenyl)propyl]propan-2-amine

1-(4-bromophenyl)-N-[3-(4-chlorophenyl)propyl]propan-2-amine (PubChem CID 155119485) has the molecular formula C18H21BrClN and a molecular weight of 366.73 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[3-(4-chlorophenyl)propyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[3-(4-chlorophenyl)propyl]propan-2-amine
PubChem CID155119485
Molecular FormulaC18H21BrClN
Molecular Weight366.73 g/mol
Exact Mass365.05
IUPAC Name1-(4-bromophenyl)-N-[3-(4-chlorophenyl)propyl]propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NCCCc1ccc(Cl)cc1
InChIInChI=1S/C18H21BrClN/c1-14(13-16-4-8-17(19)9-5-16)21-12-2-3-15-6-10-18(20)11-7-15/h4-11,14,21H,2-3,12-13H2,1H3
InChIKeyGXIVQEVFKUPRGE-UHFFFAOYSA-N
XLogP5.26
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 ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-Bromophenyl)(4-chlorophenyl)methyl]piperazine
CID 5171490
[2-(3-Bromo-phenyl)-1-methyl-ethyl]-(3-phenyl-propyl)-amine
CID 15061897
[2-(4-Bromo-phenyl)-1-methyl-ethyl]-(3-phenyl-propyl)-amine
CID 15061898
(1-(4-Chlorophenyl)propan-2-yl)(ethyl)amine
CID 526656
N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 166635652
(E)-3-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]prop-2-enamide
CID 6216454
N-[(3-bromo-4-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 166629153
Phenethylamine, N-(p-bromobenzyl)-alpha-methyl-, hydrochloride, (+)-
CID 203657
1-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]pentan-2-amine
CID 172463558
N-[3-(4-chlorophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine
CID 155119396
N-[3-(4-bromophenyl)propyl]-1-(4-fluorophenyl)propan-2-amine
CID 155119466
1-(4-bromophenyl)-N-[3-(4-fluorophenyl)propyl]propan-2-amine
CID 155119473

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[3-(4-chlorophenyl)propyl]propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[3-(4-chlorophenyl)propyl]propan-2-amine (CID 155119485) is 1-(4-bromophenyl)-N-[3-(4-chlorophenyl)propyl]propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[3-(4-chlorophenyl)propyl]propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[3-(4-chlorophenyl)propyl]propan-2-amine is CC(Cc1ccc(Br)cc1)NCCCc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[3-(4-chlorophenyl)propyl]propan-2-amine?
The InChIKey is GXIVQEVFKUPRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrClN/c1-14(13-16-4-8-17(19)9-5-16)21-12-2-3-15-6-10-18(20)11-7-15/h4-11,14,21H,2-3,12-13H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-[3-(4-chlorophenyl)propyl]propan-2-amine?
1-(4-bromophenyl)-N-[3-(4-chlorophenyl)propyl]propan-2-amine has a molecular weight of 366.73 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[3-(4-chlorophenyl)propyl]propan-2-amine is sourced from PubChem (CID 155119485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).