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

C10H12F3NO — CID 115257725

IUPAC4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCOc1ccc(N(C)CC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO/c1-14(7-10(11,12)13)8-3-5-9(15-2)6-4-8/h3-6H,7H2,1-2H3
InChIKeyGYXANITYJHLYIU-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.69
Rot. Bonds3

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

4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 115257725) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID115257725
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCOc1ccc(N(C)CC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO/c1-14(7-10(11,12)13)8-3-5-9(15-2)6-4-8/h3-6H,7H2,1-2H3
InChIKeyGYXANITYJHLYIU-UHFFFAOYSA-N
XLogP2.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.69
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

4-[methoxy-(3-methoxyphenyl)-[4-[methyl(2,2,2-trifluoroethyl)amino]phenyl]methyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 100990184
4-(4-methoxy-N-methylanilino)-3,3-dimethylbutan-2-ol
CID 66453906
3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257757
N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 115257828
4-[(1R)-1-aminoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 78934960
N-(4-methoxyphenyl)-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62258901
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
N-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline
CID 66224043
N-methyl-4-[(4-methylphenyl)-[4-[methyl(2,2,2-trifluoroethyl)amino]phenyl]methyl]-N-(2,2,2-trifluoroethyl)aniline
CID 100990166
N-(4-methoxyphenyl)-N,N',2-trimethyl-2-propylpropane-1,3-diamine
CID 62260445
N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257937
N-methyl-4-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline
CID 60890448

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline (CID 115257725) is 4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline is COc1ccc(N(C)CC(F)(F)F)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is GYXANITYJHLYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-14(7-10(11,12)13)8-3-5-9(15-2)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 219.21 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 115257725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).