(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine

C15H14F3N — CID 106881519

IUPAC(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cc(F)ccc2F)c(F)c1
InChIInChI=1S/C15H14F3N/c1-8-5-9(2)14(13(18)6-8)15(19)11-7-10(16)3-4-12(11)17/h3-7,15H,19H2,1-2H3
InChIKeyKXECCSPROHDDQP-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.77
Rot. Bonds2

About (2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine

(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine (PubChem CID 106881519) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
PubChem CID106881519
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cc(F)ccc2F)c(F)c1
InChIInChI=1S/C15H14F3N/c1-8-5-9(2)14(13(18)6-8)15(19)11-7-10(16)3-4-12(11)17/h3-7,15H,19H2,1-2H3
InChIKeyKXECCSPROHDDQP-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 62515845
(2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 106883591
N-[(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881521
[(2-fluoro-4,6-dimethylphenyl)-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 106884271
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883395
(2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine
CID 106881970
(2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883863
(5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883905
(5-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680991
(2,5-difluorophenyl)-(4-methylthiophen-3-yl)methanamine
CID 79802254
(2,6-dichlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43197833
(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 106881261

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The IUPAC name of (2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine (CID 106881519) is (2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine.
What is the SMILES notation for (2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The canonical SMILES for (2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine is Cc1cc(C)c(C(N)c2cc(F)ccc2F)c(F)c1.
What is the InChIKey of (2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The InChIKey is KXECCSPROHDDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-8-5-9(2)14(13(18)6-8)15(19)11-7-10(16)3-4-12(11)17/h3-7,15H,19H2,1-2H3.
What are the key properties of (2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine has a molecular weight of 265.28 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine is sourced from PubChem (CID 106881519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).