[4-[cyclobutylmethyl(ethyl)amino]-2-(trifluoromethyl)phenyl]methanol

C15H20F3NO — CID 107399684

IUPAC[4-[cyclobutylmethyl(ethyl)amino]-2-(trifluoromethyl)phenyl]methanol
SMILESCCN(CC1CCC1)c1ccc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO/c1-2-19(9-11-4-3-5-11)13-7-6-12(10-20)14(8-13)15(16,17)18/h6-8,11,20H,2-5,9-10H2,1H3
InChIKeyYTXFGGPVMJAPCE-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.82
Rot. Bonds5

About [4-[cyclobutylmethyl(ethyl)amino]-2-(trifluoromethyl)phenyl]methanol

[4-[cyclobutylmethyl(ethyl)amino]-2-(trifluoromethyl)phenyl]methanol (PubChem CID 107399684) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is [4-[cyclobutylmethyl(ethyl)amino]-2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-[cyclobutylmethyl(ethyl)amino]-2-(trifluoromethyl)phenyl]methanol
PubChem CID107399684
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name[4-[cyclobutylmethyl(ethyl)amino]-2-(trifluoromethyl)phenyl]methanol
SMILESCCN(CC1CCC1)c1ccc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO/c1-2-19(9-11-4-3-5-11)13-7-6-12(10-20)14(8-13)15(16,17)18/h6-8,11,20H,2-5,9-10H2,1H3
InChIKeyYTXFGGPVMJAPCE-UHFFFAOYSA-N
XLogP3.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[cyclopropylmethyl(ethyl)amino]-2-(trifluoromethyl)benzonitrile
CID 63954569
3-bromo-N-(cyclobutylmethyl)-N-ethyl-4-(methylaminomethyl)aniline
CID 114060875
(1R)-1-[2-bromo-4-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol
CID 114069882
4-[cyclobutylmethyl(ethyl)amino]benzenecarbothioamide
CID 107398830
2-chloro-4-[cyclobutylmethyl(ethyl)amino]benzenecarbothioamide
CID 107398803
1-[[4-(hydroxymethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
CID 114950302
[6-[cyclobutylmethyl(ethyl)amino]-2-pyridinyl]methanol
CID 107400665
2-amino-4-[cyclobutylmethyl(ethyl)amino]benzenesulfonamide
CID 107397185
4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107398948
[1-[cyclobutylmethyl(ethyl)amino]isoquinolin-3-yl]methanol
CID 107400671
1-[4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 63956428
4-(2-aminoethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylaniline
CID 114064874

Frequently Asked Questions

What is the IUPAC name of [4-[cyclobutylmethyl(ethyl)amino]-2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-[cyclobutylmethyl(ethyl)amino]-2-(trifluoromethyl)phenyl]methanol (CID 107399684) is [4-[cyclobutylmethyl(ethyl)amino]-2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-[cyclobutylmethyl(ethyl)amino]-2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-[cyclobutylmethyl(ethyl)amino]-2-(trifluoromethyl)phenyl]methanol is CCN(CC1CCC1)c1ccc(CO)c(C(F)(F)F)c1.
What is the InChIKey of [4-[cyclobutylmethyl(ethyl)amino]-2-(trifluoromethyl)phenyl]methanol?
The InChIKey is YTXFGGPVMJAPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-2-19(9-11-4-3-5-11)13-7-6-12(10-20)14(8-13)15(16,17)18/h6-8,11,20H,2-5,9-10H2,1H3.
What are the key properties of [4-[cyclobutylmethyl(ethyl)amino]-2-(trifluoromethyl)phenyl]methanol?
[4-[cyclobutylmethyl(ethyl)amino]-2-(trifluoromethyl)phenyl]methanol has a molecular weight of 287.32 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclobutylmethyl(ethyl)amino]-2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 107399684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).