N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline

C17H18F3NO — CID 138519666

IUPACN-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESCCN(Cc1ccc(C(F)(F)F)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18F3NO/c1-3-21(15-8-10-16(22-2)11-9-15)12-13-4-6-14(7-5-13)17(18,19)20/h4-11H,3,12H2,1-2H3
InChIKeyIJYYJWLUUXUOPE-UHFFFAOYSA-N
MW309.33 g/mol
LogP4.74
Rot. Bonds5

About N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline

N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 138519666) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID138519666
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC NameN-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESCCN(Cc1ccc(C(F)(F)F)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18F3NO/c1-3-21(15-8-10-16(22-2)11-9-15)12-13-4-6-14(7-5-13)17(18,19)20/h4-11H,3,12H2,1-2H3
InChIKeyIJYYJWLUUXUOPE-UHFFFAOYSA-N
XLogP4.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-ethyl-4-(trifluoromethyl)aniline
CID 141180561
4-methoxy-N-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 162612064
N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133384216
4-methoxy-N-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 154621258
3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine
CID 39358271
N-butyl-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 154621321
4-bromo-N,N-bis[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 171614623
butane;ethane;N-ethyl-4-methoxy-N-[(4-nitrophenyl)methyl]aniline;propane
CID 142550072
2-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78771326
methyl N,N-bis[(4-methoxyphenyl)methyl]-N'-[4-(trifluoromethyl)phenyl]carbamimidothioate
CID 17256085

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline (CID 138519666) is N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline is CCN(Cc1ccc(C(F)(F)F)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is IJYYJWLUUXUOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO/c1-3-21(15-8-10-16(22-2)11-9-15)12-13-4-6-14(7-5-13)17(18,19)20/h4-11H,3,12H2,1-2H3.
What are the key properties of N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 309.33 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 138519666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).