(4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine

C17H20FNO2 — CID 62514648

IUPAC(4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2cc(C)ccc2F)cc1OC
InChIInChI=1S/C17H20FNO2/c1-10-5-6-14(18)13(7-10)17(19)12-9-16(21-4)15(20-3)8-11(12)2/h5-9,17H,19H2,1-4H3
InChIKeyOKKHNUOFIMJRMS-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.51
Rot. Bonds4

About (4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine

(4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine (PubChem CID 62514648) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is (4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
PubChem CID62514648
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name(4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2cc(C)ccc2F)cc1OC
InChIInChI=1S/C17H20FNO2/c1-10-5-6-14(18)13(7-10)17(19)12-9-16(21-4)15(20-3)8-11(12)2/h5-9,17H,19H2,1-4H3
InChIKeyOKKHNUOFIMJRMS-UHFFFAOYSA-N
XLogP3.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032758
(4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 105056543
(4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626661
(4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852897
(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62514630
(3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514449
(2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032726
(2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 106861063
(2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048771
(3,5-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626695
(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 62515845
(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115852670

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine?
The IUPAC name of (4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine (CID 62514648) is (4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine?
The canonical SMILES for (4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine is COc1cc(C)c(C(N)c2cc(C)ccc2F)cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine?
The InChIKey is OKKHNUOFIMJRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-10-5-6-14(18)13(7-10)17(19)12-9-16(21-4)15(20-3)8-11(12)2/h5-9,17H,19H2,1-4H3.
What are the key properties of (4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine?
(4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine has a molecular weight of 289.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 62514648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).