(3-bromo-2-chlorophenyl)-(4-chloro-2-fluorophenyl)methanamine

C13H9BrCl2FN — CID 105022461

IUPAC(3-bromo-2-chlorophenyl)-(4-chloro-2-fluorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1F)c1cccc(Br)c1Cl
InChIInChI=1S/C13H9BrCl2FN/c14-10-3-1-2-9(12(10)16)13(18)8-5-4-7(15)6-11(8)17/h1-6,13H,18H2
InChIKeyHEJXNJJLJYMCLF-UHFFFAOYSA-N
MW349.03 g/mol
LogP4.94
Rot. Bonds2

About (3-bromo-2-chlorophenyl)-(4-chloro-2-fluorophenyl)methanamine

(3-bromo-2-chlorophenyl)-(4-chloro-2-fluorophenyl)methanamine (PubChem CID 105022461) has the molecular formula C13H9BrCl2FN and a molecular weight of 349.03 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(4-chloro-2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(4-chloro-2-fluorophenyl)methanamine
PubChem CID105022461
Molecular FormulaC13H9BrCl2FN
Molecular Weight349.03 g/mol
Exact Mass346.93
IUPAC Name(3-bromo-2-chlorophenyl)-(4-chloro-2-fluorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1F)c1cccc(Br)c1Cl
InChIInChI=1S/C13H9BrCl2FN/c14-10-3-1-2-9(12(10)16)13(18)8-5-4-7(15)6-11(8)17/h1-6,13H,18H2
InChIKeyHEJXNJJLJYMCLF-UHFFFAOYSA-N
XLogP4.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.03
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 114886653
(3-bromo-2-fluorophenyl)-(4-chloro-2-methylphenyl)methanamine
CID 114028370
(7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 105173757
(2-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 60786954
(3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 106648113
(4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513337
(4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 63081418
[1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]hydrazine
CID 103053837
(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 106764463
1-bromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chlorobenzene
CID 113403107
1-bromo-4-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-5-fluorobenzene
CID 105399590
(3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine
CID 106648243

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(4-chloro-2-fluorophenyl)methanamine?
The IUPAC name of (3-bromo-2-chlorophenyl)-(4-chloro-2-fluorophenyl)methanamine (CID 105022461) is (3-bromo-2-chlorophenyl)-(4-chloro-2-fluorophenyl)methanamine.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(4-chloro-2-fluorophenyl)methanamine?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(4-chloro-2-fluorophenyl)methanamine is NC(c1ccc(Cl)cc1F)c1cccc(Br)c1Cl.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(4-chloro-2-fluorophenyl)methanamine?
The InChIKey is HEJXNJJLJYMCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2FN/c14-10-3-1-2-9(12(10)16)13(18)8-5-4-7(15)6-11(8)17/h1-6,13H,18H2.
What are the key properties of (3-bromo-2-chlorophenyl)-(4-chloro-2-fluorophenyl)methanamine?
(3-bromo-2-chlorophenyl)-(4-chloro-2-fluorophenyl)methanamine has a molecular weight of 349.03 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)-(4-chloro-2-fluorophenyl)methanamine is sourced from PubChem (CID 105022461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).