(2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine

C16H17F2N — CID 107515958

IUPAC(2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)c2ccc(C)c(F)c2F)c1
InChIInChI=1S/C16H17F2N/c1-9-6-10(2)8-12(7-9)16(19)13-5-4-11(3)14(17)15(13)18/h4-8,16H,19H2,1-3H3
InChIKeyDSYUIVZCDUDGET-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.94
Rot. Bonds2

About (2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine

(2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine (PubChem CID 107515958) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine
PubChem CID107515958
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name(2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)c2ccc(C)c(F)c2F)c1
InChIInChI=1S/C16H17F2N/c1-9-6-10(2)8-12(7-9)16(19)13-5-4-11(3)14(17)15(13)18/h4-8,16H,19H2,1-3H3
InChIKeyDSYUIVZCDUDGET-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-difluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 43197780
(4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513337
(4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 63081418
1-(2,3-difluoro-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 107513293
4-[amino-(2,3-difluoro-4-methylphenyl)methyl]-N,N-dimethylaniline
CID 107515261
(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 115796552
bis(3,5-dimethylphenyl)methanamine
CID 115796405
(3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433807
(3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513399
(2,3-difluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine
CID 107513751
(2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107538714
(3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 43149143

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine (CID 107515958) is (2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine is Cc1cc(C)cc(C(N)c2ccc(C)c(F)c2F)c1.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine?
The InChIKey is DSYUIVZCDUDGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-9-6-10(2)8-12(7-9)16(19)13-5-4-11(3)14(17)15(13)18/h4-8,16H,19H2,1-3H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine?
(2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine has a molecular weight of 261.31 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 107515958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).