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

C16H16Br2FN — CID 63412804

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

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

1-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine (PubChem CID 63412804) has the molecular formula C16H16Br2FN and a molecular weight of 401.12 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
PubChem CID63412804
Molecular FormulaC16H16Br2FN
Molecular Weight401.12 g/mol
Exact Mass398.96
IUPAC Name1-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(Br)cc1)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C16H16Br2FN/c1-20-14(8-11-2-5-13(17)6-3-11)9-12-4-7-16(19)15(18)10-12/h2-7,10,14,20H,8-9H2,1H3
InChIKeyYQFKVYJBENEMJU-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-(3-bromo-4-fluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105111701
1-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
CID 105111283
1-(3-bromo-4-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 63414842
1-(3-bromo-4-fluorophenyl)-N-methylnonan-2-amine
CID 115819004
1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412893
1-(3-bromo-4-fluorophenyl)-N,4,6,6-tetramethylheptan-2-amine
CID 115818913
N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine
CID 43695878
[1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)propan-2-yl]hydrazine
CID 105197541
1-(3-bromo-4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66073323
1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475480
1-(3-bromo-4-fluorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105111510
1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 63413260

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine (CID 63412804) is 1-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine is CNC(Cc1ccc(Br)cc1)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine?
The InChIKey is YQFKVYJBENEMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2FN/c1-20-14(8-11-2-5-13(17)6-3-11)9-12-4-7-16(19)15(18)10-12/h2-7,10,14,20H,8-9H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine?
1-(3-bromo-4-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-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 63412804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).