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

C15H15F2NO — CID 55038504

IUPAC1-[4-(3,4-difluorophenoxy)-2-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C15H15F2NO/c1-10-7-12(4-3-11(10)9-18-2)19-13-5-6-14(16)15(17)8-13/h3-8,18H,9H2,1-2H3
InChIKeyIHBJPKYTNZIOEZ-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.78
Rot. Bonds4

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

1-[4-(3,4-difluorophenoxy)-2-methylphenyl]-N-methylmethanamine (PubChem CID 55038504) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[4-(3,4-difluorophenoxy)-2-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3,4-difluorophenoxy)-2-methylphenyl]-N-methylmethanamine
PubChem CID55038504
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name1-[4-(3,4-difluorophenoxy)-2-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C15H15F2NO/c1-10-7-12(4-3-11(10)9-18-2)19-13-5-6-14(16)15(17)8-13/h3-8,18H,9H2,1-2H3
InChIKeyIHBJPKYTNZIOEZ-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-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 63879873
1-[4-(3,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 55222155
1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine
CID 62128798
1-[4-(3,4-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 55039981
N,N-dimethyl-3-[3-methyl-4-(methylaminomethyl)phenoxy]aniline
CID 62128804
1-[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114857626
1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 44562943
N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
CID 82553666
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221727
N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 62130842
N-[[4-(3-bromo-4-fluorophenoxy)-2-methylphenyl]methyl]propan-1-amine
CID 83232859
N-methyl-1-(2-methyl-4-naphthalen-1-yloxyphenyl)methanamine
CID 63552196

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-difluorophenoxy)-2-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3,4-difluorophenoxy)-2-methylphenyl]-N-methylmethanamine (CID 55038504) is 1-[4-(3,4-difluorophenoxy)-2-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3,4-difluorophenoxy)-2-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3,4-difluorophenoxy)-2-methylphenyl]-N-methylmethanamine is CNCc1ccc(Oc2ccc(F)c(F)c2)cc1C.
What is the InChIKey of 1-[4-(3,4-difluorophenoxy)-2-methylphenyl]-N-methylmethanamine?
The InChIKey is IHBJPKYTNZIOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10-7-12(4-3-11(10)9-18-2)19-13-5-6-14(16)15(17)8-13/h3-8,18H,9H2,1-2H3.
What are the key properties of 1-[4-(3,4-difluorophenoxy)-2-methylphenyl]-N-methylmethanamine?
1-[4-(3,4-difluorophenoxy)-2-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)-2-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 55038504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).