2-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine

C16H16BrClFN — CID 79442103

IUPAC2-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1c(F)cccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrClFN/c1-20-10-12(11-5-7-13(17)8-6-11)9-14-15(18)3-2-4-16(14)19/h2-8,12,20H,9-10H2,1H3
InChIKeyDHKUKEBWRSZSET-UHFFFAOYSA-N
MW356.67 g/mol
LogP4.79
Rot. Bonds5

About 2-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine

2-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 79442103) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine
PubChem CID79442103
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name2-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1c(F)cccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrClFN/c1-20-10-12(11-5-7-13(17)8-6-11)9-14-15(18)3-2-4-16(14)19/h2-8,12,20H,9-10H2,1H3
InChIKeyDHKUKEBWRSZSET-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4R)-3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]-4-(4-fluorophenyl)piperidine
CID 44447596
N-[3-(4-bromophenyl)propyl]-1-(4-fluorophenyl)-3-methylbutan-2-amine
CID 155119476
3-(2-chlorophenyl)-4-(4-fluorophenyl)-N-methylbutan-1-amine
CID 20067862
3-(3-Bromo-5-fluorophenyl)-4-(4-chlorophenyl)butan-2-amine
CID 22270718
4-(4-Bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidin-1-ium
CID 58302949
4-(4-Bromo-phenyl)-4-(4-chloro-3-fluoro-phenyl)-piperidine
CID 58302950
(2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine
CID 59682348
(2R)-1-(3-bromo-4-fluorophenyl)-2-(4-chloro-3-methylphenyl)butan-1-amine
CID 67537218
3-[2-(5-Bromo-2-chlorophenyl)ethyl]-4-fluoropiperidine
CID 69592736
3-(4-bromophenyl)-3-(3,4-difluorophenyl)-N-methylpropan-1-amine
CID 71182610
2-[4-[1-(4-bromophenyl)ethyl]-3-fluorophenyl]-N-(2-fluoroethyl)ethanamine
CID 91581071
3-(4-Bromo-2-chlorophenyl)azetidine;3-(4-bromo-2-chlorophenyl)-1-(2,2,2-trifluoroethyl)azetidine;hydrochloride
CID 156565967

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine (CID 79442103) is 2-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine is CNCC(Cc1c(F)cccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is DHKUKEBWRSZSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN/c1-20-10-12(11-5-7-13(17)8-6-11)9-14-15(18)3-2-4-16(14)19/h2-8,12,20H,9-10H2,1H3.
What are the key properties of 2-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine?
2-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 356.67 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 79442103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).