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

C15H13BrClF2N — CID 43805280

IUPACN-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1F)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H13BrClF2N/c1-2-20-15(11-5-3-9(16)7-13(11)17)12-6-4-10(18)8-14(12)19/h3-8,15,20H,2H2,1H3
InChIKeyUGUMRBOGAVHSOX-UHFFFAOYSA-N
MW360.63 g/mol
LogP5.08
Rot. Bonds4

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

N-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine (PubChem CID 43805280) has the molecular formula C15H13BrClF2N and a molecular weight of 360.63 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine
PubChem CID43805280
Molecular FormulaC15H13BrClF2N
Molecular Weight360.63 g/mol
Exact Mass358.99
IUPAC NameN-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1F)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H13BrClF2N/c1-2-20-15(11-5-3-9(16)7-13(11)17)12-6-4-10(18)8-14(12)19/h3-8,15,20H,2H2,1H3
InChIKeyUGUMRBOGAVHSOX-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-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038084
N-[(4-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105397412
N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43805282
N-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851142
N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine
CID 79747518
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490176
N-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302801
N-[(2-bromo-5-fluorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022583
N-[(2,4-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 107950513
N-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62944886
N-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490184
N-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 43489635

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine (CID 43805280) is N-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine is CCNC(c1ccc(F)cc1F)c1ccc(Br)cc1Cl.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine?
The InChIKey is UGUMRBOGAVHSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2N/c1-2-20-15(11-5-3-9(16)7-13(11)17)12-6-4-10(18)8-14(12)19/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine?
N-[(4-bromo-2-chlorophenyl)-(2,4-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)-(2,4-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43805280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).