N-[(4-bromo-3-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine

C15H13BrCl2FN — CID 105022476

IUPACN-[(4-bromo-3-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H13BrCl2FN/c1-2-20-15(9-3-6-12(16)13(18)7-9)11-5-4-10(17)8-14(11)19/h3-8,15,20H,2H2,1H3
InChIKeySZPUHRNYJQUDJX-UHFFFAOYSA-N
MW377.08 g/mol
LogP5.59
Rot. Bonds4

About N-[(4-bromo-3-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine

N-[(4-bromo-3-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine (PubChem CID 105022476) has the molecular formula C15H13BrCl2FN and a molecular weight of 377.08 g/mol. Its IUPAC name is N-[(4-bromo-3-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
PubChem CID105022476
Molecular FormulaC15H13BrCl2FN
Molecular Weight377.08 g/mol
Exact Mass374.96
IUPAC NameN-[(4-bromo-3-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H13BrCl2FN/c1-2-20-15(9-3-6-12(16)13(18)7-9)11-5-4-10(17)8-14(11)19/h3-8,15,20H,2H2,1H3
InChIKeySZPUHRNYJQUDJX-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.08
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-fluorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022728
N-[(4-bromo-3-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methyl]ethanamine
CID 81291036
N-[(4-bromo-3-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81290677
N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487968
N-[(2-bromo-5-fluorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022583
N-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 105022572
N-[(3-bromo-4-fluorophenyl)-(4-bromo-2-fluorophenyl)methyl]ethanamine
CID 79746769
N-[(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 107992938
N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine
CID 79747518
N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851170
N-[(2-bromo-4-chlorophenyl)-(4-propylphenyl)methyl]ethanamine
CID 107987414
N-[(4-bromo-3-chlorophenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 81290003

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-3-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine (CID 105022476) is N-[(4-bromo-3-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-3-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-3-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine is CCNC(c1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1F.
What is the InChIKey of N-[(4-bromo-3-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine?
The InChIKey is SZPUHRNYJQUDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2FN/c1-2-20-15(9-3-6-12(16)13(18)7-9)11-5-4-10(17)8-14(11)19/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(4-bromo-3-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine?
N-[(4-bromo-3-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine has a molecular weight of 377.08 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 105022476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).