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

C16H16Br2FN — CID 63412893

IUPAC1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(Br)cc1)Cc1cc(F)ccc1Br
InChIInChI=1S/C16H16Br2FN/c1-20-15(8-11-2-4-13(17)5-3-11)10-12-9-14(19)6-7-16(12)18/h2-7,9,15,20H,8,10H2,1H3
InChIKeyYNONUSNSHMYOKN-UHFFFAOYSA-N
MW401.12 g/mol
LogP4.72
Rot. Bonds5

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

1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine (PubChem CID 63412893) has the molecular formula C16H16Br2FN and a molecular weight of 401.12 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
PubChem CID63412893
Molecular FormulaC16H16Br2FN
Molecular Weight401.12 g/mol
Exact Mass398.96
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(Br)cc1)Cc1cc(F)ccc1Br
InChIInChI=1S/C16H16Br2FN/c1-20-15(8-11-2-4-13(17)5-3-11)10-12-9-14(19)6-7-16(12)18/h2-7,9,15,20H,8,10H2,1H3
InChIKeyYNONUSNSHMYOKN-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 63413260
1-(2-bromo-5-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 63415665
2-[(2-bromo-5-fluorophenyl)methyl]-3-(4-bromophenyl)-N-methylpropan-1-amine
CID 63521897
1-(2-bromo-5-fluorophenyl)-N,5-dimethylhexan-2-amine
CID 62603162
1-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412804
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 102618565
1-(2-bromo-5-fluorophenyl)-N,4-dimethylhexan-2-amine
CID 115843650
1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
CID 103168480
1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144079
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
CID 62603056
1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66158639
2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine
CID 107974495

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine (CID 63412893) is 1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine is CNC(Cc1ccc(Br)cc1)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine?
The InChIKey is YNONUSNSHMYOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2FN/c1-20-15(8-11-2-4-13(17)5-3-11)10-12-9-14(19)6-7-16(12)18/h2-7,9,15,20H,8,10H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine?
1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine has a molecular weight of 401.12 g/mol, XLogP of 4.72, 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-bromophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 63412893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).