N-[(3-chlorophenyl)-(2,4-dibromophenyl)methyl]propan-1-amine

C16H16Br2ClN — CID 107945231

IUPACN-[(3-chlorophenyl)-(2,4-dibromophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C16H16Br2ClN/c1-2-8-20-16(11-4-3-5-13(19)9-11)14-7-6-12(17)10-15(14)18/h3-7,9-10,16,20H,2,8H2,1H3
InChIKeyYKHOQHYUEZXBQP-UHFFFAOYSA-N
MW417.57 g/mol
LogP5.95
Rot. Bonds5

About N-[(3-chlorophenyl)-(2,4-dibromophenyl)methyl]propan-1-amine

N-[(3-chlorophenyl)-(2,4-dibromophenyl)methyl]propan-1-amine (PubChem CID 107945231) has the molecular formula C16H16Br2ClN and a molecular weight of 417.57 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(2,4-dibromophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(2,4-dibromophenyl)methyl]propan-1-amine
PubChem CID107945231
Molecular FormulaC16H16Br2ClN
Molecular Weight417.57 g/mol
Exact Mass414.93
IUPAC NameN-[(3-chlorophenyl)-(2,4-dibromophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C16H16Br2ClN/c1-2-8-20-16(11-4-3-5-13(19)9-11)14-7-6-12(17)10-15(14)18/h3-7,9-10,16,20H,2,8H2,1H3
InChIKeyYKHOQHYUEZXBQP-UHFFFAOYSA-N
XLogP5.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.57
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3-chlorophenyl)-(2,4-dibromophenyl)methyl]propan-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

N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 107991862
N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497693
N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 60819696
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989692
N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496153
N-[(2,5-dibromophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43495338
N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625480
N-[(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methyl]propan-1-amine
CID 65278364
N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine
CID 43562127
N-[(3-bromo-4-methylphenyl)-(4-chloro-2-fluorophenyl)methyl]propan-1-amine
CID 105022696
N-[(3-chlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]propan-1-amine
CID 105106643
N-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 115812106

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(2,4-dibromophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)-(2,4-dibromophenyl)methyl]propan-1-amine (CID 107945231) is N-[(3-chlorophenyl)-(2,4-dibromophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)-(2,4-dibromophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)-(2,4-dibromophenyl)methyl]propan-1-amine is CCCNC(c1cccc(Cl)c1)c1ccc(Br)cc1Br.
What is the InChIKey of N-[(3-chlorophenyl)-(2,4-dibromophenyl)methyl]propan-1-amine?
The InChIKey is YKHOQHYUEZXBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2ClN/c1-2-8-20-16(11-4-3-5-13(19)9-11)14-7-6-12(17)10-15(14)18/h3-7,9-10,16,20H,2,8H2,1H3.
What are the key properties of N-[(3-chlorophenyl)-(2,4-dibromophenyl)methyl]propan-1-amine?
N-[(3-chlorophenyl)-(2,4-dibromophenyl)methyl]propan-1-amine has a molecular weight of 417.57 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(2,4-dibromophenyl)methyl]propan-1-amine is sourced from PubChem (CID 107945231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).