1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine

C16H16BrClFN — CID 63413260

IUPAC1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(Cl)cc1)Cc1cc(F)ccc1Br
InChIInChI=1S/C16H16BrClFN/c1-20-15(8-11-2-4-13(18)5-3-11)10-12-9-14(19)6-7-16(12)17/h2-7,9,15,20H,8,10H2,1H3
InChIKeyBPXUBYVCEIBGNF-UHFFFAOYSA-N
MW356.67 g/mol
LogP4.61
Rot. Bonds5

About 1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine

1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine (PubChem CID 63413260) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
PubChem CID63413260
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(Cl)cc1)Cc1cc(F)ccc1Br
InChIInChI=1S/C16H16BrClFN/c1-20-15(8-11-2-4-13(18)5-3-11)10-12-9-14(19)6-7-16(12)17/h2-7,9,15,20H,8,10H2,1H3
InChIKeyBPXUBYVCEIBGNF-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412893
1-(2-bromo-5-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 63415665
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 102618565
1-(2-bromo-5-fluorophenyl)-N,5-dimethylhexan-2-amine
CID 62603162
1-(2-chloro-4-fluorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 63419681
2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 115843490
1-(2-bromo-5-fluorophenyl)-N,4-dimethylhexan-2-amine
CID 115843650
1-(3-bromo-4-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 63414842
1-(3,4-dichlorophenyl)-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
CID 62196904
1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66053668
1-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 107884509
2-bromo-1-[1-bromo-2-(4-chlorophenyl)ethyl]-4-fluorobenzene
CID 63542273

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine (CID 63413260) is 1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine is CNC(Cc1ccc(Cl)cc1)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine?
The InChIKey is BPXUBYVCEIBGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN/c1-20-15(8-11-2-4-13(18)5-3-11)10-12-9-14(19)6-7-16(12)17/h2-7,9,15,20H,8,10H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine?
1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine has a molecular weight of 356.67 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 63413260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).