N-[(4-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine

C16H15Br2ClFN — CID 107998653

IUPACN-[(4-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)c(F)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C16H15Br2ClFN/c1-2-7-21-16(10-3-6-14(19)15(20)8-10)12-9-11(17)4-5-13(12)18/h3-6,8-9,16,21H,2,7H2,1H3
InChIKeyFCQFEGSQMNDXPL-UHFFFAOYSA-N
MW435.56 g/mol
LogP6.09
Rot. Bonds5

About N-[(4-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine

N-[(4-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine (PubChem CID 107998653) has the molecular formula C16H15Br2ClFN and a molecular weight of 435.56 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
PubChem CID107998653
Molecular FormulaC16H15Br2ClFN
Molecular Weight435.56 g/mol
Exact Mass432.92
IUPAC NameN-[(4-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)c(F)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C16H15Br2ClFN/c1-2-7-21-16(10-3-6-14(19)15(20)8-10)12-9-11(17)4-5-13(12)18/h3-6,8-9,16,21H,2,7H2,1H3
InChIKeyFCQFEGSQMNDXPL-UHFFFAOYSA-N
XLogP6.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.56
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 63503524
N-[(5-bromo-2-chlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130343
N-[(2,5-dibromophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43495338
N-[(2-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 81454710
N-[(2-bromo-5-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 43495349
N-[(2-bromo-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130545
N-[(4-chloro-3-fluorophenyl)-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 107998849
N-[(4-bromo-5-chlorothiophen-2-yl)-(4-chloro-3-fluorophenyl)methyl]propan-1-amine
CID 107998958
N-[(3-bromo-4-chlorophenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105395392
N-[(4-bromo-3-chlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130155
N-[(4-chloro-3-fluorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine
CID 107992020
N-[(5-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 65307696

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine (CID 107998653) is N-[(4-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)c(F)c1)c1cc(Br)ccc1Br.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine?
The InChIKey is FCQFEGSQMNDXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2ClFN/c1-2-7-21-16(10-3-6-14(19)15(20)8-10)12-9-11(17)4-5-13(12)18/h3-6,8-9,16,21H,2,7H2,1H3.
What are the key properties of N-[(4-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine?
N-[(4-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine has a molecular weight of 435.56 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine is sourced from PubChem (CID 107998653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).