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

C17H19F2NO — CID 105032726

IUPAC(2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2cc(C)c(F)cc2F)cc1C
InChIInChI=1S/C17H19F2NO/c1-9-7-16(21-4)11(3)6-12(9)17(20)13-5-10(2)14(18)8-15(13)19/h5-8,17H,20H2,1-4H3
InChIKeyCMJYMAHLKNPMPB-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.95
Rot. Bonds3

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

(2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine (PubChem CID 105032726) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
PubChem CID105032726
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name(2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2cc(C)c(F)cc2F)cc1C
InChIInChI=1S/C17H19F2NO/c1-9-7-16(21-4)11(3)6-12(9)17(20)13-5-10(2)14(18)8-15(13)19/h5-8,17H,20H2,1-4H3
InChIKeyCMJYMAHLKNPMPB-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032758
(4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514648
(4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 115369006
(3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032704
(2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032943
(4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626661
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
(2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048771
methoxy-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116947261
(2-bromo-4-chlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 107995034
(2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882947
(1,3-dimethylpyrazol-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 102804395

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine (CID 105032726) is (2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine is COc1cc(C)c(C(N)c2cc(C)c(F)cc2F)cc1C.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The InChIKey is CMJYMAHLKNPMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-9-7-16(21-4)11(3)6-12(9)17(20)13-5-10(2)14(18)8-15(13)19/h5-8,17H,20H2,1-4H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
(2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine has a molecular weight of 291.34 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine is sourced from PubChem (CID 105032726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).