(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine

C13H9BrClF2N — CID 43805150

IUPAC(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H9BrClF2N/c14-8-2-3-9(10(15)6-8)13(18)7-1-4-11(16)12(17)5-7/h1-6,13H,18H2
InChIKeySOEIKZXTWDBIIL-UHFFFAOYSA-N
MW332.58 g/mol
LogP4.43
Rot. Bonds2

About (4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine

(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine (PubChem CID 43805150) has the molecular formula C13H9BrClF2N and a molecular weight of 332.58 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine
PubChem CID43805150
Molecular FormulaC13H9BrClF2N
Molecular Weight332.58 g/mol
Exact Mass330.96
IUPAC Name(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H9BrClF2N/c14-8-2-3-9(10(15)6-8)13(18)7-1-4-11(16)12(17)5-7/h1-6,13H,18H2
InChIKeySOEIKZXTWDBIIL-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.58
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197612
(4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291877
(4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine
CID 43805136
[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105304998
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197530
(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine
CID 115827987
N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43805282
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
(2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 81454139
(4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine
CID 43805138
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 63504339
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine
CID 105398676

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine?
The IUPAC name of (4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine (CID 43805150) is (4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine is NC(c1ccc(F)c(F)c1)c1ccc(Br)cc1Cl.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine?
The InChIKey is SOEIKZXTWDBIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF2N/c14-8-2-3-9(10(15)6-8)13(18)7-1-4-11(16)12(17)5-7/h1-6,13H,18H2.
What are the key properties of (4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine?
(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine has a molecular weight of 332.58 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine is sourced from PubChem (CID 43805150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).