(4-bromo-2,6-difluorophenyl)-(2,3-dimethylphenyl)methanamine

C15H14BrF2N — CID 115850579

IUPAC(4-bromo-2,6-difluorophenyl)-(2,3-dimethylphenyl)methanamine
SMILESCc1cccc(C(N)c2c(F)cc(Br)cc2F)c1C
InChIInChI=1S/C15H14BrF2N/c1-8-4-3-5-11(9(8)2)15(19)14-12(17)6-10(16)7-13(14)18/h3-7,15H,19H2,1-2H3
InChIKeyQQINEVQENDPMBV-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.39
Rot. Bonds2

About (4-bromo-2,6-difluorophenyl)-(2,3-dimethylphenyl)methanamine

(4-bromo-2,6-difluorophenyl)-(2,3-dimethylphenyl)methanamine (PubChem CID 115850579) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-(2,3-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-(2,3-dimethylphenyl)methanamine
PubChem CID115850579
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name(4-bromo-2,6-difluorophenyl)-(2,3-dimethylphenyl)methanamine
SMILESCc1cccc(C(N)c2c(F)cc(Br)cc2F)c1C
InChIInChI=1S/C15H14BrF2N/c1-8-4-3-5-11(9(8)2)15(19)14-12(17)6-10(16)7-13(14)18/h3-7,15H,19H2,1-2H3
InChIKeyQQINEVQENDPMBV-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2,6-difluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483678
(2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 115859741
(2,3-dimethylphenyl)-(2-methylphenyl)methanamine
CID 55085139
(2-bromo-3-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 107982155
(4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine
CID 105036008
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 115850574
(3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine
CID 64713808
(4-bromo-2,6-difluorophenyl)-(2-cyclobutylphenyl)methanamine
CID 105052438
(2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047575
(2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883863
(5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985209
[2-(4-bromo-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethyl]hydrazine
CID 105297343

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-(2,3-dimethylphenyl)methanamine?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-(2,3-dimethylphenyl)methanamine (CID 115850579) is (4-bromo-2,6-difluorophenyl)-(2,3-dimethylphenyl)methanamine.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-(2,3-dimethylphenyl)methanamine?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-(2,3-dimethylphenyl)methanamine is Cc1cccc(C(N)c2c(F)cc(Br)cc2F)c1C.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-(2,3-dimethylphenyl)methanamine?
The InChIKey is QQINEVQENDPMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-8-4-3-5-11(9(8)2)15(19)14-12(17)6-10(16)7-13(14)18/h3-7,15H,19H2,1-2H3.
What are the key properties of (4-bromo-2,6-difluorophenyl)-(2,3-dimethylphenyl)methanamine?
(4-bromo-2,6-difluorophenyl)-(2,3-dimethylphenyl)methanamine has a molecular weight of 326.18 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-(2,3-dimethylphenyl)methanamine is sourced from PubChem (CID 115850579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).