(2,3-difluorophenyl)-(2,5-dimethylphenyl)methanamine

C15H15F2N — CID 55101767

IUPAC(2,3-difluorophenyl)-(2,5-dimethylphenyl)methanamine
SMILESCc1ccc(C)c(C(N)c2cccc(F)c2F)c1
InChIInChI=1S/C15H15F2N/c1-9-6-7-10(2)12(8-9)15(18)11-4-3-5-13(16)14(11)17/h3-8,15H,18H2,1-2H3
InChIKeyCHHFBKMLSXCNKX-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.63
Rot. Bonds2

About (2,3-difluorophenyl)-(2,5-dimethylphenyl)methanamine

(2,3-difluorophenyl)-(2,5-dimethylphenyl)methanamine (PubChem CID 55101767) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(2,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(2,5-dimethylphenyl)methanamine
PubChem CID55101767
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(2,3-difluorophenyl)-(2,5-dimethylphenyl)methanamine
SMILESCc1ccc(C)c(C(N)c2cccc(F)c2F)c1
InChIInChI=1S/C15H15F2N/c1-9-6-7-10(2)12(8-9)15(18)11-4-3-5-13(16)14(11)17/h3-8,15H,18H2,1-2H3
InChIKeyCHHFBKMLSXCNKX-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81478085
(2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine
CID 81044973
(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115852670
(2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine
CID 107476124
N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 63502673
(2,3-difluorophenyl)-(2-fluoro-5-methylphenyl)methanol
CID 63894755
(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 64712292
(3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine
CID 106647803
(5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024991
(2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 115859741
(2,6-difluoro-3-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852896
1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826541

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(2,5-dimethylphenyl)methanamine?
The IUPAC name of (2,3-difluorophenyl)-(2,5-dimethylphenyl)methanamine (CID 55101767) is (2,3-difluorophenyl)-(2,5-dimethylphenyl)methanamine.
What is the SMILES notation for (2,3-difluorophenyl)-(2,5-dimethylphenyl)methanamine?
The canonical SMILES for (2,3-difluorophenyl)-(2,5-dimethylphenyl)methanamine is Cc1ccc(C)c(C(N)c2cccc(F)c2F)c1.
What is the InChIKey of (2,3-difluorophenyl)-(2,5-dimethylphenyl)methanamine?
The InChIKey is CHHFBKMLSXCNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-9-6-7-10(2)12(8-9)15(18)11-4-3-5-13(16)14(11)17/h3-8,15H,18H2,1-2H3.
What are the key properties of (2,3-difluorophenyl)-(2,5-dimethylphenyl)methanamine?
(2,3-difluorophenyl)-(2,5-dimethylphenyl)methanamine has a molecular weight of 247.29 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(2,5-dimethylphenyl)methanamine is sourced from PubChem (CID 55101767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).