1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine

C15H14BrCl2N — CID 63411923

IUPAC1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine
SMILESNC(Cc1ccc(Br)cc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14BrCl2N/c16-12-4-1-10(2-5-12)7-13(19)8-11-3-6-14(17)15(18)9-11/h1-6,9,13H,7-8,19H2
InChIKeyJLQTVPVWGTUARC-UHFFFAOYSA-N
MW359.09 g/mol
LogP4.87
Rot. Bonds4

About 1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine

1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine (PubChem CID 63411923) has the molecular formula C15H14BrCl2N and a molecular weight of 359.09 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine
PubChem CID63411923
Molecular FormulaC15H14BrCl2N
Molecular Weight359.09 g/mol
Exact Mass356.97
IUPAC Name1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine
SMILESNC(Cc1ccc(Br)cc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14BrCl2N/c16-12-4-1-10(2-5-12)7-13(19)8-11-3-6-14(17)15(18)9-11/h1-6,9,13H,7-8,19H2
InChIKeyJLQTVPVWGTUARC-UHFFFAOYSA-N
XLogP4.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.09
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-[(4-bromophenyl)methyl]-3-chloropropyl]-1,2-dichlorobenzene
CID 66035939
1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine
CID 63415619
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
1-(4-bromophenyl)-3-(2-chlorophenyl)propan-2-amine
CID 60818442
1-(3,4-dichlorophenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 63415878
1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine
CID 103048411
2-(4-bromophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 79441806
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 115369457
[1-(4-bromo-2-chlorophenyl)-2-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105296864
1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 81296108
1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
CID 113393945
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 61263481

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine (CID 63411923) is 1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine is NC(Cc1ccc(Br)cc1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine?
The InChIKey is JLQTVPVWGTUARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2N/c16-12-4-1-10(2-5-12)7-13(19)8-11-3-6-14(17)15(18)9-11/h1-6,9,13H,7-8,19H2.
What are the key properties of 1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine?
1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine has a molecular weight of 359.09 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine is sourced from PubChem (CID 63411923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).