1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine

C15H15F2NO — CID 63038179

IUPAC1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cccc(F)c2F)c(C)c1
InChIInChI=1S/C15H15F2NO/c1-10-8-11(9-18-2)6-7-13(10)19-14-5-3-4-12(16)15(14)17/h3-8,18H,9H2,1-2H3
InChIKeyJQXMJCRUAMTYNW-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.78
Rot. Bonds4

About 1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine

1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine (PubChem CID 63038179) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
PubChem CID63038179
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cccc(F)c2F)c(C)c1
InChIInChI=1S/C15H15F2NO/c1-10-8-11(9-18-2)6-7-13(10)19-14-5-3-4-12(16)15(14)17/h3-8,18H,9H2,1-2H3
InChIKeyJQXMJCRUAMTYNW-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine
CID 107659646
1-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]-N-methylmethanamine
CID 63077723
1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407476
1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43283411
1-[4-(3,4-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 55039981
N-methyl-1-[3-methyl-4-(3-methyl-2-nitrophenoxy)phenyl]methanamine
CID 62125465
4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene
CID 63565705
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine
CID 81154995
1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686784
N-methyl-1-[3-methyl-4-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63550870
1-[4-[(2,6-dimethylphenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686671
2-[4-(bromomethyl)-2-methylphenoxy]-6-fluorobenzonitrile
CID 107087791

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine (CID 63038179) is 1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine is CNCc1ccc(Oc2cccc(F)c2F)c(C)c1.
What is the InChIKey of 1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine?
The InChIKey is JQXMJCRUAMTYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10-8-11(9-18-2)6-7-13(10)19-14-5-3-4-12(16)15(14)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine?
1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine has a molecular weight of 263.29 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 63038179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).