1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine

C15H14ClF2NO — CID 115811785

IUPAC1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H14ClF2NO/c1-19-14(10-4-2-6-12(16)8-10)11-5-3-7-13(9-11)20-15(17)18/h2-9,14-15,19H,1H3
InChIKeyFDSBANYFBGJXLT-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.25
Rot. Bonds5

About 1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine

1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine (PubChem CID 115811785) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
PubChem CID115811785
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H14ClF2NO/c1-19-14(10-4-2-6-12(16)8-10)11-5-3-7-13(9-11)20-15(17)18/h2-9,14-15,19H,1H3
InChIKeyFDSBANYFBGJXLT-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 115811779
1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 105022622
1-(3,5-dichlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019086
1-[3-(difluoromethoxy)phenyl]-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018727
1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482866
1-(4-bromo-5-chlorothiophen-2-yl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 102828345
2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
CID 61065024
1-[3-(difluoromethoxy)phenyl]-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115851960
1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852460
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665
1-(2,5-dibromothiophen-3-yl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43486884
1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316127

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine (CID 115811785) is 1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine is CNC(c1cccc(Cl)c1)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine?
The InChIKey is FDSBANYFBGJXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-19-14(10-4-2-6-12(16)8-10)11-5-3-7-13(9-11)20-15(17)18/h2-9,14-15,19H,1H3.
What are the key properties of 1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine?
1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine has a molecular weight of 297.73 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 115811785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).