4-methoxy-N-(2,2,2-trifluoroethyl)aniline

C9H10F3NO — CID 28585897

IUPAC4-methoxy-N-(2,2,2-trifluoroethyl)aniline
SMILESCOc1ccc(NCC(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO/c1-14-8-4-2-7(3-5-8)13-6-9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyJHQJGUVEMQTBRL-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.67
Rot. Bonds3

About 4-methoxy-N-(2,2,2-trifluoroethyl)aniline

4-methoxy-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 28585897) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 4-methoxy-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name4-methoxy-N-(2,2,2-trifluoroethyl)aniline
PubChem CID28585897
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name4-methoxy-N-(2,2,2-trifluoroethyl)aniline
SMILESCOc1ccc(NCC(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO/c1-14-8-4-2-7(3-5-8)13-6-9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyJHQJGUVEMQTBRL-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.67
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

6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine
CID 115257711
2-fluoro-3-(4-methoxyanilino)-2-methylpropanoic acid
CID 105484472
2-(4-methoxyanilino)-1,1-diphenylethanol
CID 101160453
ethyl 2,2-difluoro-3-(4-methoxyanilino)propanoate
CID 12981865
1-(4-methoxyphenyl)-3-(2,2,2-trifluoroethyl)thiourea
CID 143565339
N-(4-chloro-4,4-difluorobutyl)-4-methoxyaniline
CID 67832517
4-methoxy-N-[2-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline
CID 122380184
N-ethyl-4-methoxyaniline;molecular hydrogen
CID 142256400
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63535943
4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
N-(2,2-dimethylpropyl)-4-(trifluoromethoxy)aniline
CID 20786173
1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone
CID 24826943

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 4-methoxy-N-(2,2,2-trifluoroethyl)aniline (CID 28585897) is 4-methoxy-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 4-methoxy-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 4-methoxy-N-(2,2,2-trifluoroethyl)aniline is COc1ccc(NCC(F)(F)F)cc1.
What is the InChIKey of 4-methoxy-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is JHQJGUVEMQTBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-14-8-4-2-7(3-5-8)13-6-9(10,11)12/h2-5,13H,6H2,1H3.
What are the key properties of 4-methoxy-N-(2,2,2-trifluoroethyl)aniline?
4-methoxy-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 205.18 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 28585897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).