1-(2-methoxyphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine

C15H14F3NO — CID 62963769

IUPAC1-(2-methoxyphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
SMILESCNC(c1ccccc1OC)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H14F3NO/c1-19-15(9-5-3-4-6-12(9)20-2)10-7-8-11(16)14(18)13(10)17/h3-8,15,19H,1-2H3
InChIKeyFFBKHSFIXMLNMJ-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.42
Rot. Bonds4

About 1-(2-methoxyphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine

1-(2-methoxyphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine (PubChem CID 62963769) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
PubChem CID62963769
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name1-(2-methoxyphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
SMILESCNC(c1ccccc1OC)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H14F3NO/c1-19-15(9-5-3-4-6-12(9)20-2)10-7-8-11(16)14(18)13(10)17/h3-8,15,19H,1-2H3
InChIKeyFFBKHSFIXMLNMJ-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 82808523
[(2-fluoro-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105329259
1-(2-fluoro-5-methylphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 62790144
1-(4-chloro-2-fluorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 82807492
1-(4-chloro-2-methoxyphenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513966
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105024978
1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 115793404
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 105025159
1-(2-bromo-3,4-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107539013
1-(2,3-difluoro-4-methylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 107513669
1-(2,4-dimethylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105024844
1-(2,4-dimethylphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43482690

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine (CID 62963769) is 1-(2-methoxyphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine is CNC(c1ccccc1OC)c1ccc(F)c(F)c1F.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is FFBKHSFIXMLNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-19-15(9-5-3-4-6-12(9)20-2)10-7-8-11(16)14(18)13(10)17/h3-8,15,19H,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
1-(2-methoxyphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 281.28 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 62963769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).