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

C16H16Br2FN — CID 79448852

IUPAC3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(F)cc1Br)c1ccccc1Br
InChIInChI=1S/C16H16Br2FN/c1-20-10-12(14-4-2-3-5-15(14)17)8-11-6-7-13(19)9-16(11)18/h2-7,9,12,20H,8,10H2,1H3
InChIKeySMSNVWKHVIMEID-UHFFFAOYSA-N
MW401.12 g/mol
LogP4.90
Rot. Bonds5

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

3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-methylpropan-1-amine (PubChem CID 79448852) has the molecular formula C16H16Br2FN and a molecular weight of 401.12 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-methylpropan-1-amine
PubChem CID79448852
Molecular FormulaC16H16Br2FN
Molecular Weight401.12 g/mol
Exact Mass398.96
IUPAC Name3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(F)cc1Br)c1ccccc1Br
InChIInChI=1S/C16H16Br2FN/c1-20-10-12(14-4-2-3-5-15(14)17)8-11-6-7-13(19)9-16(11)18/h2-7,9,12,20H,8,10H2,1H3
InChIKeySMSNVWKHVIMEID-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.12
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine
CID 79436328
2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 114858886
2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine
CID 104794735
2-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-1-amine
CID 106869613
3-(2-chloro-4-fluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439309
2-bromo-1-[3-chloro-2-(2-methylphenyl)propyl]-4-fluorobenzene
CID 79419241
2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine
CID 62608660
1-bromo-2-[2-(2-bromophenyl)-3-chloropropyl]-4-fluorobenzene
CID 79454251
2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine
CID 79448562
3-(5-bromo-2-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine
CID 79437285
2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine
CID 79436436
2-(2-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 79439531

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-methylpropan-1-amine (CID 79448852) is 3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-methylpropan-1-amine is CNCC(Cc1ccc(F)cc1Br)c1ccccc1Br.
What is the InChIKey of 3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-methylpropan-1-amine?
The InChIKey is SMSNVWKHVIMEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2FN/c1-20-10-12(14-4-2-3-5-15(14)17)8-11-6-7-13(19)9-16(11)18/h2-7,9,12,20H,8,10H2,1H3.
What are the key properties of 3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-methylpropan-1-amine?
3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-methylpropan-1-amine has a molecular weight of 401.12 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 79448852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).