[4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylphenyl]methanol

C12H16F3NO — CID 62135558

IUPAC[4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylphenyl]methanol
SMILESCCN(CC(F)(F)F)c1ccc(CO)c(C)c1
InChIInChI=1S/C12H16F3NO/c1-3-16(8-12(13,14)15)11-5-4-10(7-17)9(2)6-11/h4-6,17H,3,7-8H2,1-2H3
InChIKeyBETTXVKQFQVXLD-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.88
Rot. Bonds4

About [4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylphenyl]methanol

[4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylphenyl]methanol (PubChem CID 62135558) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is [4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylphenyl]methanol.

Molecular Properties

Compound Name[4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylphenyl]methanol
PubChem CID62135558
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name[4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylphenyl]methanol
SMILESCCN(CC(F)(F)F)c1ccc(CO)c(C)c1
InChIInChI=1S/C12H16F3NO/c1-3-16(8-12(13,14)15)11-5-4-10(7-17)9(2)6-11/h4-6,17H,3,7-8H2,1-2H3
InChIKeyBETTXVKQFQVXLD-UHFFFAOYSA-N
XLogP2.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[(cyclopropylamino)methyl]-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 62129967
N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 10262797
4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 113295424
5-(diethylamino)-2-(hydroxymethyl)phenol
CID 55255374
2-[4-[(cyclopropylamino)methyl]-3-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107481489
4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline
CID 86063425
1-[4-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
CID 55010438
N-ethyl-4-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)aniline
CID 55009021
2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid
CID 62946083
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylbenzonitrile
CID 107479609
[4-[N-[4-(hydroxymethyl)-3-methylphenyl]-4-[4-(N-[4-(hydroxymethyl)-3-methylphenyl]-4-methylanilino)phenyl]anilino]phenyl]methanol
CID 59392122
4-(chloromethyl)-N-ethyl-3-methyl-N-propylaniline
CID 62129296

Frequently Asked Questions

What is the IUPAC name of [4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylphenyl]methanol?
The IUPAC name of [4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylphenyl]methanol (CID 62135558) is [4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylphenyl]methanol.
What is the SMILES notation for [4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylphenyl]methanol?
The canonical SMILES for [4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylphenyl]methanol is CCN(CC(F)(F)F)c1ccc(CO)c(C)c1.
What is the InChIKey of [4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylphenyl]methanol?
The InChIKey is BETTXVKQFQVXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-3-16(8-12(13,14)15)11-5-4-10(7-17)9(2)6-11/h4-6,17H,3,7-8H2,1-2H3.
What are the key properties of [4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylphenyl]methanol?
[4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylphenyl]methanol has a molecular weight of 247.26 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylphenyl]methanol is sourced from PubChem (CID 62135558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).