2-methoxy-4-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline

C15H14F3NO — CID 103818943

IUPAC2-methoxy-4-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline
SMILESCOc1cc(C)ccc1NCc1cc(F)c(F)cc1F
InChIInChI=1S/C15H14F3NO/c1-9-3-4-14(15(5-9)20-2)19-8-10-6-12(17)13(18)7-11(10)16/h3-7,19H,8H2,1-2H3
InChIKeyOXZQLIFWQCYISX-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.03
Rot. Bonds4

About 2-methoxy-4-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline

2-methoxy-4-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline (PubChem CID 103818943) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline
PubChem CID103818943
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name2-methoxy-4-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline
SMILESCOc1cc(C)ccc1NCc1cc(F)c(F)cc1F
InChIInChI=1S/C15H14F3NO/c1-9-3-4-14(15(5-9)20-2)19-8-10-6-12(17)13(18)7-11(10)16/h3-7,19H,8H2,1-2H3
InChIKeyOXZQLIFWQCYISX-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline
CID 103852096
N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 103818113
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline
CID 55040204
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline
CID 63451269
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline
CID 60932232
N-benzyl-2-methoxy-4-methylaniline
CID 54865649
4-fluoro-3-methoxy-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 105022434
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline
CID 63451276
2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 61075554
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline?
The IUPAC name of 2-methoxy-4-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline (CID 103818943) is 2-methoxy-4-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline.
What is the SMILES notation for 2-methoxy-4-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline?
The canonical SMILES for 2-methoxy-4-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline is COc1cc(C)ccc1NCc1cc(F)c(F)cc1F.
What is the InChIKey of 2-methoxy-4-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline?
The InChIKey is OXZQLIFWQCYISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-9-3-4-14(15(5-9)20-2)19-8-10-6-12(17)13(18)7-11(10)16/h3-7,19H,8H2,1-2H3.
What are the key properties of 2-methoxy-4-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline?
2-methoxy-4-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline has a molecular weight of 281.28 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline is sourced from PubChem (CID 103818943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).