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

C15H15F2NO — CID 55039981

IUPAC1-[4-(3,4-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccc(F)c(F)c2)c(C)c1
InChIInChI=1S/C15H15F2NO/c1-10-7-11(9-18-2)3-6-15(10)19-12-4-5-13(16)14(17)8-12/h3-8,18H,9H2,1-2H3
InChIKeyLDHIVOXIAZNJBT-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.78
Rot. Bonds4

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

1-[4-(3,4-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine (PubChem CID 55039981) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[4-(3,4-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3,4-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
PubChem CID55039981
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name1-[4-(3,4-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccc(F)c(F)c2)c(C)c1
InChIInChI=1S/C15H15F2NO/c1-10-7-11(9-18-2)3-6-15(10)19-12-4-5-13(16)14(17)8-12/h3-8,18H,9H2,1-2H3
InChIKeyLDHIVOXIAZNJBT-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-(3,4-dichlorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 63551292
N-[[4-(3-fluoro-4-methylphenoxy)-3-methylphenyl]methyl]ethanamine
CID 107169923
1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43283411
1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 63038179
N-methyl-1-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 62123861
1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine
CID 107659646
1-[4-(3,4-difluorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 55038504
N-methyl-1-[3-methyl-4-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63550870
N-[[4-(3-bromo-4-fluorophenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 83233350
N-[[4-(3-chloro-4-fluorophenoxy)-3-methylphenyl]methyl]propan-1-amine
CID 63877804
1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105406718
1-[3-[(3,4-difluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457584

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3,4-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine (CID 55039981) is 1-[4-(3,4-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3,4-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3,4-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine is CNCc1ccc(Oc2ccc(F)c(F)c2)c(C)c1.
What is the InChIKey of 1-[4-(3,4-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine?
The InChIKey is LDHIVOXIAZNJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10-7-11(9-18-2)3-6-15(10)19-12-4-5-13(16)14(17)8-12/h3-8,18H,9H2,1-2H3.
What are the key properties of 1-[4-(3,4-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine?
1-[4-(3,4-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-(3,4-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 55039981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).