N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine

C16H16Br2FN — CID 43695878

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NCc1ccc(F)c(Br)c1
InChIInChI=1S/C16H16Br2FN/c1-11(8-12-2-5-14(17)6-3-12)20-10-13-4-7-16(19)15(18)9-13/h2-7,9,11,20H,8,10H2,1H3
InChIKeyXRYCIMUYAFFOFS-UHFFFAOYSA-N
MW401.12 g/mol
LogP5.07
Rot. Bonds5

About N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine

N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine (PubChem CID 43695878) has the molecular formula C16H16Br2FN and a molecular weight of 401.12 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine
PubChem CID43695878
Molecular FormulaC16H16Br2FN
Molecular Weight401.12 g/mol
Exact Mass398.96
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NCc1ccc(F)c(Br)c1
InChIInChI=1S/C16H16Br2FN/c1-11(8-12-2-5-14(17)6-3-12)20-10-13-4-7-16(19)15(18)9-13/h2-7,9,11,20H,8,10H2,1H3
InChIKeyXRYCIMUYAFFOFS-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.12
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 43371868
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 81436061
1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine
CID 60789791
1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]propan-2-amine
CID 43696028
1-bromo-N-[(3-bromo-4-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 107859065
1-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412804
N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956826
2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid
CID 43467343
N-[(4-bromo-3-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 81436383
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine
CID 43221213
4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzene-1,3-diol
CID 43695780

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine (CID 43695878) is N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine is CC(Cc1ccc(Br)cc1)NCc1ccc(F)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine?
The InChIKey is XRYCIMUYAFFOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2FN/c1-11(8-12-2-5-14(17)6-3-12)20-10-13-4-7-16(19)15(18)9-13/h2-7,9,11,20H,8,10H2,1H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine?
N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine has a molecular weight of 401.12 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine is sourced from PubChem (CID 43695878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).