(2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine

C13H9BrClF2N — CID 114886653

IUPAC(2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1F)c1c(F)cccc1Br
InChIInChI=1S/C13H9BrClF2N/c14-9-2-1-3-10(16)12(9)13(18)8-5-4-7(15)6-11(8)17/h1-6,13H,18H2
InChIKeyZRVAGDCAELZMDY-UHFFFAOYSA-N
MW332.57 g/mol
LogP4.43
Rot. Bonds2

About (2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine

(2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine (PubChem CID 114886653) has the molecular formula C13H9BrClF2N and a molecular weight of 332.57 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine
PubChem CID114886653
Molecular FormulaC13H9BrClF2N
Molecular Weight332.57 g/mol
Exact Mass330.96
IUPAC Name(2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1F)c1c(F)cccc1Br
InChIInChI=1S/C13H9BrClF2N/c14-9-2-1-3-10(16)12(9)13(18)8-5-4-7(15)6-11(8)17/h1-6,13H,18H2
InChIKeyZRVAGDCAELZMDY-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 ≤ 500332.57
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-chlorophenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 105022461
1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114886903
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
(7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 105173757
(2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine
CID 114559070
(2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 114558834
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43107900
(2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 114886872
(2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine
CID 114558836
(3-bromo-2,6-difluorophenyl)-(2,4-difluorophenyl)methanamine
CID 106942443
(2-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 60786954
(3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 65279660

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine?
The IUPAC name of (2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine (CID 114886653) is (2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine is NC(c1ccc(Cl)cc1F)c1c(F)cccc1Br.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine?
The InChIKey is ZRVAGDCAELZMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF2N/c14-9-2-1-3-10(16)12(9)13(18)8-5-4-7(15)6-11(8)17/h1-6,13H,18H2.
What are the key properties of (2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine?
(2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine has a molecular weight of 332.57 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 (2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine is sourced from PubChem (CID 114886653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).