N-(2-ethylbutyl)-4-methoxy-2-(trifluoromethyl)aniline

C14H20F3NO — CID 43678119

IUPACN-(2-ethylbutyl)-4-methoxy-2-(trifluoromethyl)aniline
SMILESCCC(CC)CNc1ccc(OC)cc1C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-4-10(5-2)9-18-13-7-6-11(19-3)8-12(13)14(15,16)17/h6-8,10,18H,4-5,9H2,1-3H3
InChIKeyMEZLPNDYTYXNKW-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.56
Rot. Bonds6

About N-(2-ethylbutyl)-4-methoxy-2-(trifluoromethyl)aniline

N-(2-ethylbutyl)-4-methoxy-2-(trifluoromethyl)aniline (PubChem CID 43678119) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(2-ethylbutyl)-4-methoxy-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(2-ethylbutyl)-4-methoxy-2-(trifluoromethyl)aniline
PubChem CID43678119
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN-(2-ethylbutyl)-4-methoxy-2-(trifluoromethyl)aniline
SMILESCCC(CC)CNc1ccc(OC)cc1C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-4-10(5-2)9-18-13-7-6-11(19-3)8-12(13)14(15,16)17/h6-8,10,18H,4-5,9H2,1-3H3
InChIKeyMEZLPNDYTYXNKW-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.56
H-Bond Donors ≤ 51
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

4-methoxy-N-(3-methoxy-2-methylpropyl)-2-(trifluoromethyl)aniline
CID 116500897
2-N-[4-methoxy-2-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 103388027
N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline
CID 60961963
methyl 2-[4-methoxy-2-(trifluoromethyl)anilino]propanoate
CID 66173707
3-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 63679600
1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine
CID 107819851
N-(3,5-dimethylcyclohexyl)-4-methoxy-2-(trifluoromethyl)aniline
CID 64752121
2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
CID 43697093
N-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
CID 53403796
4-chloro-N-(2,2-dimethoxyethyl)-2-(trifluoromethyl)aniline
CID 63686793
3-[2-fluoro-5-methoxy-3-(trifluoromethyl)anilino]propane-1,2-diol
CID 168596588
1-(2-fluoro-4-methoxyanilino)propan-2-ol
CID 82539782

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-4-methoxy-2-(trifluoromethyl)aniline?
The IUPAC name of N-(2-ethylbutyl)-4-methoxy-2-(trifluoromethyl)aniline (CID 43678119) is N-(2-ethylbutyl)-4-methoxy-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(2-ethylbutyl)-4-methoxy-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(2-ethylbutyl)-4-methoxy-2-(trifluoromethyl)aniline is CCC(CC)CNc1ccc(OC)cc1C(F)(F)F.
What is the InChIKey of N-(2-ethylbutyl)-4-methoxy-2-(trifluoromethyl)aniline?
The InChIKey is MEZLPNDYTYXNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-4-10(5-2)9-18-13-7-6-11(19-3)8-12(13)14(15,16)17/h6-8,10,18H,4-5,9H2,1-3H3.
What are the key properties of N-(2-ethylbutyl)-4-methoxy-2-(trifluoromethyl)aniline?
N-(2-ethylbutyl)-4-methoxy-2-(trifluoromethyl)aniline has a molecular weight of 275.31 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-4-methoxy-2-(trifluoromethyl)aniline is sourced from PubChem (CID 43678119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).