N-[(3-bromo-5-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]propan-1-amine

C16H15Br2F2N — CID 79722730

IUPACN-[(3-bromo-5-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)cc(Br)c1)c1cc(Br)ccc1F
InChIInChI=1S/C16H15Br2F2N/c1-2-5-21-16(10-6-12(18)8-13(19)7-10)14-9-11(17)3-4-15(14)20/h3-4,6-9,16,21H,2,5H2,1H3
InChIKeyJQNWHVULZWWWKU-UHFFFAOYSA-N
MW419.11 g/mol
LogP5.58
Rot. Bonds5

About N-[(3-bromo-5-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]propan-1-amine

N-[(3-bromo-5-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]propan-1-amine (PubChem CID 79722730) has the molecular formula C16H15Br2F2N and a molecular weight of 419.11 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]propan-1-amine
PubChem CID79722730
Molecular FormulaC16H15Br2F2N
Molecular Weight419.11 g/mol
Exact Mass416.95
IUPAC NameN-[(3-bromo-5-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)cc(Br)c1)c1cc(Br)ccc1F
InChIInChI=1S/C16H15Br2F2N/c1-2-5-21-16(10-6-12(18)8-13(19)7-10)14-9-11(17)3-4-15(14)20/h3-4,6-9,16,21H,2,5H2,1H3
InChIKeyJQNWHVULZWWWKU-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.11
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3-bromo-5-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-bromo-5-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496254
N-[(3-bromo-5-fluorophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 66423866
N-[(5-chloro-2-fluorophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 114886624
N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-3-yl)methyl]propan-1-amine
CID 105167470
N-[(5-bromo-2-fluorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43494987
N-[(3-bromo-5-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495490
N-[(5-bromo-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 79723126
N-[(5-bromo-2-fluorophenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 114894983
N-[(5-bromo-2-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 79743288
N-[(5-bromo-2-fluorophenyl)-(4-bromo-2-methylphenyl)methyl]propan-1-amine
CID 105011819
N-[(2,5-dibromophenyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 63502138
N-[(5-bromo-2-chlorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495638

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]propan-1-amine (CID 79722730) is N-[(3-bromo-5-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]propan-1-amine is CCCNC(c1cc(F)cc(Br)c1)c1cc(Br)ccc1F.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]propan-1-amine?
The InChIKey is JQNWHVULZWWWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2F2N/c1-2-5-21-16(10-6-12(18)8-13(19)7-10)14-9-11(17)3-4-15(14)20/h3-4,6-9,16,21H,2,5H2,1H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]propan-1-amine?
N-[(3-bromo-5-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]propan-1-amine has a molecular weight of 419.11 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 79722730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).