(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine

C15H15F2NO — CID 62650016

IUPAC(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc(F)c2F)cc1C
InChIInChI=1S/C15H15F2NO/c1-9-8-10(6-7-13(9)19-2)15(18)11-4-3-5-12(16)14(11)17/h3-8,15H,18H2,1-2H3
InChIKeyZTKAETDDYPVJOY-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.33
Rot. Bonds3

About (2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine

(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine (PubChem CID 62650016) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine
PubChem CID62650016
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc(F)c2F)cc1C
InChIInChI=1S/C15H15F2NO/c1-9-8-10(6-7-13(9)19-2)15(18)11-4-3-5-12(16)14(11)17/h3-8,15H,18H2,1-2H3
InChIKeyZTKAETDDYPVJOY-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024853
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664
(4-methoxy-3-methylphenyl)-naphthalen-1-ylmethanamine
CID 43379648
(3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine
CID 24688761
(4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107994800
(4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine
CID 115862069
(3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 62505966
(4-methoxy-3-methylphenyl)-(4-methylphenyl)methanamine
CID 43379645
(4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine
CID 105056511
1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 43487462
(2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 82793131
(2,3-difluorophenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115800901

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine?
The IUPAC name of (2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine (CID 62650016) is (2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine.
What is the SMILES notation for (2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine?
The canonical SMILES for (2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine is COc1ccc(C(N)c2cccc(F)c2F)cc1C.
What is the InChIKey of (2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine?
The InChIKey is ZTKAETDDYPVJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-9-8-10(6-7-13(9)19-2)15(18)11-4-3-5-12(16)14(11)17/h3-8,15H,18H2,1-2H3.
What are the key properties of (2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine?
(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine has a molecular weight of 263.29 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine is sourced from PubChem (CID 62650016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).