2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine

C16H16BrCl2N — CID 107309624

IUPAC2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(Br)c1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16BrCl2N/c17-14-5-1-3-11(9-14)7-12(10-20)8-13-4-2-6-15(18)16(13)19/h1-6,9,12H,7-8,10,20H2
InChIKeyFIPNQIVSYNJDJF-UHFFFAOYSA-N
MW373.12 g/mol
LogP5.12
Rot. Bonds5

About 2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine

2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine (PubChem CID 107309624) has the molecular formula C16H16BrCl2N and a molecular weight of 373.12 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
PubChem CID107309624
Molecular FormulaC16H16BrCl2N
Molecular Weight373.12 g/mol
Exact Mass370.98
IUPAC Name2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(Br)c1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16BrCl2N/c17-14-5-1-3-11(9-14)7-12(10-20)8-13-4-2-6-15(18)16(13)19/h1-6,9,12H,7-8,10,20H2
InChIKeyFIPNQIVSYNJDJF-UHFFFAOYSA-N
XLogP5.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.12
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)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

2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309611
2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309618
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine
CID 103049610
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine
CID 63496704
(2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol
CID 95001596
2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 107309626
2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 107309627
2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 86811592
2-[(3-bromophenyl)methyl]-3-(5-bromo-3-pyridinyl)propan-1-amine
CID 104810377
1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107308364
2-benzyl-3-(2-chlorophenyl)propan-1-amine
CID 62504845

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine (CID 107309624) is 2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine is NCC(Cc1cccc(Br)c1)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine?
The InChIKey is FIPNQIVSYNJDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2N/c17-14-5-1-3-11(9-14)7-12(10-20)8-13-4-2-6-15(18)16(13)19/h1-6,9,12H,7-8,10,20H2.
What are the key properties of 2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine?
2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine has a molecular weight of 373.12 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine is sourced from PubChem (CID 107309624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).