1-[2-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-methylmethanamine

C15H14F3NO — CID 43481244

IUPAC1-[2-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C15H14F3NO/c1-19-14(10-6-8-11(16)9-7-10)12-4-2-3-5-13(12)20-15(17)18/h2-9,14-15,19H,1H3
InChIKeyNETHLSVVXHZSRC-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.74
Rot. Bonds5

About 1-[2-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-methylmethanamine

1-[2-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-methylmethanamine (PubChem CID 43481244) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-methylmethanamine
PubChem CID43481244
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name1-[2-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C15H14F3NO/c1-19-14(10-6-8-11(16)9-7-10)12-4-2-3-5-13(12)20-15(17)18/h2-9,14-15,19H,1H3
InChIKeyNETHLSVVXHZSRC-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484647
[(4-fluorophenyl)-(2-propan-2-yloxyphenyl)methyl]hydrazine
CID 105192765
1,1-bis(4-fluorophenyl)-N-methylmethanamine
CID 22660961
N-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 43488937
1-(5-bromo-4-chlorothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 80530820
1-[2-(difluoromethoxy)phenyl]-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102653477
4-[(2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline
CID 116952129
1-[2-(difluoromethoxy)phenyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61331924
1-[(1E)-cycloocten-1-yl]-1-[2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 106656311
[[2-(difluoromethoxy)phenyl]-(3-fluorophenyl)methyl]hydrazine
CID 105285492
1-[4-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852459
1-[2-(difluoromethoxy)phenyl]-4-methoxy-N,2-dimethylbutan-1-amine
CID 105044561

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-methylmethanamine (CID 43481244) is 1-[2-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-methylmethanamine is CNC(c1ccc(F)cc1)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-methylmethanamine?
The InChIKey is NETHLSVVXHZSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-19-14(10-6-8-11(16)9-7-10)12-4-2-3-5-13(12)20-15(17)18/h2-9,14-15,19H,1H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-methylmethanamine?
1-[2-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-methylmethanamine has a molecular weight of 281.28 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43481244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).