1-(4-bromophenyl)-3-(2-chlorophenyl)propan-2-amine

C15H15BrClN — CID 60818442

IUPAC1-(4-bromophenyl)-3-(2-chlorophenyl)propan-2-amine
SMILESNC(Cc1ccc(Br)cc1)Cc1ccccc1Cl
InChIInChI=1S/C15H15BrClN/c16-13-7-5-11(6-8-13)9-14(18)10-12-3-1-2-4-15(12)17/h1-8,14H,9-10,18H2
InChIKeyNPTDGIKDWGWICD-UHFFFAOYSA-N
MW324.65 g/mol
LogP4.22
Rot. Bonds4

About 1-(4-bromophenyl)-3-(2-chlorophenyl)propan-2-amine

1-(4-bromophenyl)-3-(2-chlorophenyl)propan-2-amine (PubChem CID 60818442) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2-chlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2-chlorophenyl)propan-2-amine
PubChem CID60818442
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC Name1-(4-bromophenyl)-3-(2-chlorophenyl)propan-2-amine
SMILESNC(Cc1ccc(Br)cc1)Cc1ccccc1Cl
InChIInChI=1S/C15H15BrClN/c16-13-7-5-11(6-8-13)9-14(18)10-12-3-1-2-4-15(12)17/h1-8,14H,9-10,18H2
InChIKeyNPTDGIKDWGWICD-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.65
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 63411923
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1-(4-bromo-2-nitrophenyl)-3-(2-chlorophenyl)propan-2-amine
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(2S)-1-(2-chlorophenyl)pentan-2-amine
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1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-amine
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1-(4-bromophenyl)pent-4-yn-2-amine
CID 62232609
1-(2-amino-5-bromophenyl)-2-(2-chlorophenyl)ethanol
CID 82704231
1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-2-amine
CID 55095389
1-(4-bromophenyl)-3-(2-fluoro-3-nitrophenyl)propan-2-amine
CID 107353655
2-(4-bromophenyl)-1-(4-chloronaphthalen-1-yl)ethanamine
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(2R)-2-amino-3-(2-chlorophenyl)propane-1-sulfonic acid
CID 58661581
1-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]benzene
CID 79454557

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2-chlorophenyl)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(2-chlorophenyl)propan-2-amine (CID 60818442) is 1-(4-bromophenyl)-3-(2-chlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2-chlorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(2-chlorophenyl)propan-2-amine is NC(Cc1ccc(Br)cc1)Cc1ccccc1Cl.
What is the InChIKey of 1-(4-bromophenyl)-3-(2-chlorophenyl)propan-2-amine?
The InChIKey is NPTDGIKDWGWICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c16-13-7-5-11(6-8-13)9-14(18)10-12-3-1-2-4-15(12)17/h1-8,14H,9-10,18H2.
What are the key properties of 1-(4-bromophenyl)-3-(2-chlorophenyl)propan-2-amine?
1-(4-bromophenyl)-3-(2-chlorophenyl)propan-2-amine has a molecular weight of 324.65 g/mol, XLogP of 4.22, 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-(2-chlorophenyl)propan-2-amine is sourced from PubChem (CID 60818442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).