(2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine

C15H14BrClFN — CID 115483655

IUPAC(2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
SMILESCc1cc(Cl)c(C(N)c2cccc(F)c2Br)cc1C
InChIInChI=1S/C15H14BrClFN/c1-8-6-11(12(17)7-9(8)2)15(19)10-4-3-5-13(18)14(10)16/h3-7,15H,19H2,1-2H3
InChIKeyMFYHWLKWKHSGDG-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.91
Rot. Bonds2

About (2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine

(2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine (PubChem CID 115483655) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
PubChem CID115483655
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name(2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
SMILESCc1cc(Cl)c(C(N)c2cccc(F)c2Br)cc1C
InChIInChI=1S/C15H14BrClFN/c1-8-6-11(12(17)7-9(8)2)15(19)10-4-3-5-13(18)14(10)16/h3-7,15H,19H2,1-2H3
InChIKeyMFYHWLKWKHSGDG-UHFFFAOYSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine
CID 81044973
(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990549
(2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 107981990
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107982138
(2-bromo-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758784
(4-bromo-2,6-difluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483678
(2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine
CID 107476078
(3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 81045269
(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 115483749
(2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol
CID 115484592
(2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 115851739
1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 115484950

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine?
The IUPAC name of (2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine (CID 115483655) is (2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine?
The canonical SMILES for (2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine is Cc1cc(Cl)c(C(N)c2cccc(F)c2Br)cc1C.
What is the InChIKey of (2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine?
The InChIKey is MFYHWLKWKHSGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-8-6-11(12(17)7-9(8)2)15(19)10-4-3-5-13(18)14(10)16/h3-7,15H,19H2,1-2H3.
What are the key properties of (2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine?
(2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine has a molecular weight of 342.64 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine is sourced from PubChem (CID 115483655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).