N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine

C15H13BrClF2N — CID 43805282

IUPACN-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H13BrClF2N/c1-2-20-15(9-3-6-13(18)14(19)7-9)11-5-4-10(16)8-12(11)17/h3-8,15,20H,2H2,1H3
InChIKeyQYUPOMVJUZMBTP-UHFFFAOYSA-N
MW360.63 g/mol
LogP5.08
Rot. Bonds4

About N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine

N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine (PubChem CID 43805282) has the molecular formula C15H13BrClF2N and a molecular weight of 360.63 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
PubChem CID43805282
Molecular FormulaC15H13BrClF2N
Molecular Weight360.63 g/mol
Exact Mass358.99
IUPAC NameN-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H13BrClF2N/c1-2-20-15(9-3-6-13(18)14(19)7-9)11-5-4-10(16)8-12(11)17/h3-8,15,20H,2H2,1H3
InChIKeyQYUPOMVJUZMBTP-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine
CID 79747518
N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491332
[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105304998
N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43488972
N-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine
CID 43805280
N-[(3-bromo-4-fluorophenyl)-(4-bromo-2-fluorophenyl)methyl]ethanamine
CID 79746769
N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62964289
N-[(4-bromophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302716
N-[(4-bromo-3-fluorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022728
N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487938
N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491377
N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63502248

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine (CID 43805282) is N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine is CCNC(c1ccc(F)c(F)c1)c1ccc(Br)cc1Cl.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine?
The InChIKey is QYUPOMVJUZMBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2N/c1-2-20-15(9-3-6-13(18)14(19)7-9)11-5-4-10(16)8-12(11)17/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine?
N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine has a molecular weight of 360.63 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43805282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).