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

C15H14BrClFN — CID 62829669

IUPAC1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
SMILESNC(Cc1ccccc1Br)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H14BrClFN/c16-13-5-2-1-4-10(13)8-11(19)9-12-14(17)6-3-7-15(12)18/h1-7,11H,8-9,19H2
InChIKeySCGWGKKLDWBBKH-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.35
Rot. Bonds4

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

1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine (PubChem CID 62829669) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
PubChem CID62829669
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
SMILESNC(Cc1ccccc1Br)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H14BrClFN/c16-13-5-2-1-4-10(13)8-11(19)9-12-14(17)6-3-7-15(12)18/h1-7,11H,8-9,19H2
InChIKeySCGWGKKLDWBBKH-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-6-fluorophenyl)-N-ethylpropan-2-amine
CID 63420097
1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 55145225
1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine
CID 102618839
1-(2-bromophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 55118420
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 63024382
2-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-1-amine
CID 79448638
1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 114886632
1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115845161
1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 107311717
1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 114931497
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131589

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine (CID 62829669) is 1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine is NC(Cc1ccccc1Br)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine?
The InChIKey is SCGWGKKLDWBBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c16-13-5-2-1-4-10(13)8-11(19)9-12-14(17)6-3-7-15(12)18/h1-7,11H,8-9,19H2.
What are the key properties of 1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine?
1-(2-bromophenyl)-3-(2-chloro-6-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-6-fluorophenyl)propan-2-amine is sourced from PubChem (CID 62829669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).