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

C16H16BrF2N — CID 81436061

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCc1ccc(Br)c(F)c1
InChIInChI=1S/C16H16BrF2N/c1-11(8-12-2-5-14(18)6-3-12)20-10-13-4-7-15(17)16(19)9-13/h2-7,9,11,20H,8,10H2,1H3
InChIKeyYLVAGJOMTDPFCO-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.45
Rot. Bonds5

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

N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine (PubChem CID 81436061) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
PubChem CID81436061
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCc1ccc(Br)c(F)c1
InChIInChI=1S/C16H16BrF2N/c1-11(8-12-2-5-14(18)6-3-12)20-10-13-4-7-15(17)16(19)9-13/h2-7,9,11,20H,8,10H2,1H3
InChIKeyYLVAGJOMTDPFCO-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 81436383
N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,6-difluorophenyl)propan-2-amine
CID 81432181
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956826
N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine
CID 43695878
3-[(4-bromo-3-fluorophenyl)methylamino]butan-1-ol
CID 81002994
N-[(4-bromo-3-fluorophenyl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103779657
N-[(4-bromo-3-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 81432305
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
(2R)-N-[(4-bromo-3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 97357883
1-[1-(4-bromo-3-fluorophenyl)propan-2-ylamino]propan-2-ol
CID 115704219
N-[(4-bromo-3-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 81436611

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine (CID 81436061) is N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine is CC(Cc1ccc(F)cc1)NCc1ccc(Br)c(F)c1.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is YLVAGJOMTDPFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-11(8-12-2-5-14(18)6-3-12)20-10-13-4-7-15(17)16(19)9-13/h2-7,9,11,20H,8,10H2,1H3.
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine?
N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine has a molecular weight of 340.21 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 81436061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).