[4-(2-bromo-6-chlorophenyl)-2-fluorophenyl]methanamine

C13H10BrClFN — CID 114269085

IUPAC[4-(2-bromo-6-chlorophenyl)-2-fluorophenyl]methanamine
SMILESNCc1ccc(-c2c(Cl)cccc2Br)cc1F
InChIInChI=1S/C13H10BrClFN/c14-10-2-1-3-11(15)13(10)8-4-5-9(7-17)12(16)6-8/h1-6H,7,17H2
InChIKeyMPDWTGXSNFXGFX-UHFFFAOYSA-N
MW314.59 g/mol
LogP4.37
Rot. Bonds2

About [4-(2-bromo-6-chlorophenyl)-2-fluorophenyl]methanamine

[4-(2-bromo-6-chlorophenyl)-2-fluorophenyl]methanamine (PubChem CID 114269085) has the molecular formula C13H10BrClFN and a molecular weight of 314.59 g/mol. Its IUPAC name is [4-(2-bromo-6-chlorophenyl)-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(2-bromo-6-chlorophenyl)-2-fluorophenyl]methanamine
PubChem CID114269085
Molecular FormulaC13H10BrClFN
Molecular Weight314.59 g/mol
Exact Mass312.97
IUPAC Name[4-(2-bromo-6-chlorophenyl)-2-fluorophenyl]methanamine
SMILESNCc1ccc(-c2c(Cl)cccc2Br)cc1F
InChIInChI=1S/C13H10BrClFN/c14-10-2-1-3-11(15)13(10)8-4-5-9(7-17)12(16)6-8/h1-6H,7,17H2
InChIKeyMPDWTGXSNFXGFX-UHFFFAOYSA-N
XLogP4.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.59
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[5-(2,6-dichlorophenyl)-2-fluorophenyl]methanamine
CID 134631446
1-bromo-3-chloro-2-(3-chlorophenyl)benzene
CID 57354961
2-(2-bromo-6-chlorophenyl)-6-phenylnaphthalene
CID 177097158
1-bromo-3-chloro-2-(3-ethylphenyl)benzene
CID 52988182
[2-(3,5-dichlorophenyl)-3-fluorophenyl]methanamine
CID 134631487
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
CID 112607867
4-[4-(aminomethyl)-3-fluorophenyl]phenol
CID 71100471
[4-(3,5-dimethylphenyl)-2-fluorophenyl]methanamine
CID 54912650
[2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine
CID 54911715
[5-(2-chlorophenyl)-2-fluorophenyl]methanamine
CID 61029562
1-bromo-2-(2-bromophenyl)-3-chlorobenzene
CID 67154117
1-chloro-2-(4-fluoro-3-methylphenyl)-3-methylbenzene
CID 66251813

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromo-6-chlorophenyl)-2-fluorophenyl]methanamine?
The IUPAC name of [4-(2-bromo-6-chlorophenyl)-2-fluorophenyl]methanamine (CID 114269085) is [4-(2-bromo-6-chlorophenyl)-2-fluorophenyl]methanamine.
What is the SMILES notation for [4-(2-bromo-6-chlorophenyl)-2-fluorophenyl]methanamine?
The canonical SMILES for [4-(2-bromo-6-chlorophenyl)-2-fluorophenyl]methanamine is NCc1ccc(-c2c(Cl)cccc2Br)cc1F.
What is the InChIKey of [4-(2-bromo-6-chlorophenyl)-2-fluorophenyl]methanamine?
The InChIKey is MPDWTGXSNFXGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFN/c14-10-2-1-3-11(15)13(10)8-4-5-9(7-17)12(16)6-8/h1-6H,7,17H2.
What are the key properties of [4-(2-bromo-6-chlorophenyl)-2-fluorophenyl]methanamine?
[4-(2-bromo-6-chlorophenyl)-2-fluorophenyl]methanamine has a molecular weight of 314.59 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromo-6-chlorophenyl)-2-fluorophenyl]methanamine is sourced from PubChem (CID 114269085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).