2-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-1-amine

C15H14BrClFN — CID 79448638

IUPAC2-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-1-amine
SMILESNCC(Cc1c(F)cccc1Cl)c1ccccc1Br
InChIInChI=1S/C15H14BrClFN/c16-13-5-2-1-4-11(13)10(9-19)8-12-14(17)6-3-7-15(12)18/h1-7,10H,8-9,19H2
InChIKeyJKKYMWBMKDTUQA-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.53
Rot. Bonds4

About 2-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-1-amine

2-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-1-amine (PubChem CID 79448638) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-1-amine
PubChem CID79448638
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name2-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-1-amine
SMILESNCC(Cc1c(F)cccc1Cl)c1ccccc1Br
InChIInChI=1S/C15H14BrClFN/c16-13-5-2-1-4-11(13)10(9-19)8-12-14(17)6-3-7-15(12)18/h1-7,10H,8-9,19H2
InChIKeyJKKYMWBMKDTUQA-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromo-2,6-difluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 106271749
2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine
CID 79449387
3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine
CID 82139834
1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 62829669
[1-(3-bromo-2-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethyl]hydrazine
CID 106648844
3-(2-chloro-6-fluorophenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977027
1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 61079951
1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 114886632
3-(2-chloro-6-fluorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine
CID 83976734
2-[3-bromo-2-(4-chlorophenyl)propyl]-1-chloro-3-fluorobenzene
CID 79435659
3-(2-chloro-6-fluorophenyl)-2-(3,4-dimethoxyphenyl)propan-1-amine
CID 82139829
1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine
CID 106647905

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-1-amine (CID 79448638) is 2-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-1-amine is NCC(Cc1c(F)cccc1Cl)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-1-amine?
The InChIKey is JKKYMWBMKDTUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c16-13-5-2-1-4-11(13)10(9-19)8-12-14(17)6-3-7-15(12)18/h1-7,10H,8-9,19H2.
What are the key properties of 2-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-1-amine?
2-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-1-amine has a molecular weight of 342.64 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-1-amine is sourced from PubChem (CID 79448638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).