N-benzyl-4-methoxy-N-(trifluoromethyl)aniline

C15H14F3NO — CID 15363788

IUPACN-benzyl-4-methoxy-N-(trifluoromethyl)aniline
SMILESCOc1ccc(N(Cc2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO/c1-20-14-9-7-13(8-10-14)19(15(16,17)18)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyLKPDJYQVGJLKHN-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.22
Rot. Bonds4

About N-benzyl-4-methoxy-N-(trifluoromethyl)aniline

N-benzyl-4-methoxy-N-(trifluoromethyl)aniline (PubChem CID 15363788) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is N-benzyl-4-methoxy-N-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-benzyl-4-methoxy-N-(trifluoromethyl)aniline
PubChem CID15363788
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC NameN-benzyl-4-methoxy-N-(trifluoromethyl)aniline
SMILESCOc1ccc(N(Cc2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO/c1-20-14-9-7-13(8-10-14)19(15(16,17)18)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyLKPDJYQVGJLKHN-UHFFFAOYSA-N
XLogP4.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-methoxy-N-(1,1,2,2,2-pentafluoroethyl)aniline
CID 14926287
N-benzyl-1,1,1-trifluoro-N-methylmethanamine
CID 5167579
(N-benzyl-4-methoxyanilino)-sulfanyl-sulfanylidenephosphanium
CID 173023374
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
3-[benzyl-[(4-methoxyphenyl)methyl]amino]benzoic acid
CID 11725248
benzyl-[(4-methoxyphenyl)methyl]-methylidene-λ4-sulfane
CID 100953226
N-(2,2-dimethylpropyl)-4-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 154621158
N-(2,2-dimethylpropyl)-4-methoxy-N-[(4-phenylphenyl)methyl]aniline
CID 138519701
N-benzyl-N-(2-ethoxyethyl)-4-methoxyaniline
CID 78826514
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934531
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methoxy-N-(trifluoromethyl)aniline?
The IUPAC name of N-benzyl-4-methoxy-N-(trifluoromethyl)aniline (CID 15363788) is N-benzyl-4-methoxy-N-(trifluoromethyl)aniline.
What is the SMILES notation for N-benzyl-4-methoxy-N-(trifluoromethyl)aniline?
The canonical SMILES for N-benzyl-4-methoxy-N-(trifluoromethyl)aniline is COc1ccc(N(Cc2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of N-benzyl-4-methoxy-N-(trifluoromethyl)aniline?
The InChIKey is LKPDJYQVGJLKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-20-14-9-7-13(8-10-14)19(15(16,17)18)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of N-benzyl-4-methoxy-N-(trifluoromethyl)aniline?
N-benzyl-4-methoxy-N-(trifluoromethyl)aniline has a molecular weight of 281.28 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methoxy-N-(trifluoromethyl)aniline is sourced from PubChem (CID 15363788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).