1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine

C15H14BrClFN — CID 102618839

IUPAC1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine
SMILESNC(Cc1cc(F)ccc1Cl)Cc1ccccc1Br
InChIInChI=1S/C15H14BrClFN/c16-14-4-2-1-3-10(14)8-13(19)9-11-7-12(18)5-6-15(11)17/h1-7,13H,8-9,19H2
InChIKeyOTSUZJXABNQGBO-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.35
Rot. Bonds4

About 1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine

1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine (PubChem CID 102618839) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine
PubChem CID102618839
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine
SMILESNC(Cc1cc(F)ccc1Cl)Cc1ccccc1Br
InChIInChI=1S/C15H14BrClFN/c16-14-4-2-1-3-10(14)8-13(19)9-11-7-12(18)5-6-15(11)17/h1-7,13H,8-9,19H2
InChIKeyOTSUZJXABNQGBO-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 55118420
1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
CID 102618765
1-(3-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine
CID 102618465
1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 63420117
1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 62829669
1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115843743
1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethanamine
CID 105394821
2-(2-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethanamine
CID 102618794
1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine
CID 102622741
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
1-bromo-2-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-4-fluorobenzene
CID 66041556
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 102622560

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine (CID 102618839) is 1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine is NC(Cc1cc(F)ccc1Cl)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine?
The InChIKey is OTSUZJXABNQGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c16-14-4-2-1-3-10(14)8-13(19)9-11-7-12(18)5-6-15(11)17/h1-7,13H,8-9,19H2.
What are the key properties of 1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine?
1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine has a molecular weight of 342.64 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine is sourced from PubChem (CID 102618839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).