1-[[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]amino]prop-2-en-1-ol

C15H18F3NO2 — CID 166925048

IUPAC1-[[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]amino]prop-2-en-1-ol
SMILESC=CC(O)NC1CC(OCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H18F3NO2/c1-2-14(20)19-12-7-13(8-12)21-9-10-4-3-5-11(6-10)15(16,17)18/h2-6,12-14,19-20H,1,7-9H2
InChIKeyKCVBWBLBXCRSMS-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.85
Rot. Bonds6

About 1-[[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]amino]prop-2-en-1-ol

1-[[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]amino]prop-2-en-1-ol (PubChem CID 166925048) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 1-[[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]amino]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]amino]prop-2-en-1-ol
PubChem CID166925048
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name1-[[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]amino]prop-2-en-1-ol
SMILESC=CC(O)NC1CC(OCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H18F3NO2/c1-2-14(20)19-12-7-13(8-12)21-9-10-4-3-5-11(6-10)15(16,17)18/h2-6,12-14,19-20H,1,7-9H2
InChIKeyKCVBWBLBXCRSMS-UHFFFAOYSA-N
XLogP2.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]amino]prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aS,6aR)-5-[[3-(trifluoromethyl)phenyl]methoxy]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 135388155
methyl (2S,4R)-1-prop-2-enoyl-4-[[3-(trifluoromethyl)phenyl]methoxy]pyrrolidine-2-carboxylate
CID 146568330
3-[[3-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine
CID 79465808
1H-pyrazole;1-[3-[[3-(trifluoromethyl)phenyl]methoxy]pyrrolidin-1-yl]prop-2-en-1-one
CID 166101058
2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 103917723
(2R,5S)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]piperidine
CID 177205527
N-(3-ethoxycyclobutyl)-3-(trifluoromethyl)aniline
CID 112572842
(2S,3S)-1-prop-2-enoyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid
CID 146568370
2-methoxy-1-[(3R)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223657
2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223656
N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine
CID 22356645
[(1R)-3-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]cyclohexyl]carbamic acid
CID 118524831

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]amino]prop-2-en-1-ol?
The IUPAC name of 1-[[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]amino]prop-2-en-1-ol (CID 166925048) is 1-[[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]amino]prop-2-en-1-ol.
What is the SMILES notation for 1-[[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]amino]prop-2-en-1-ol?
The canonical SMILES for 1-[[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]amino]prop-2-en-1-ol is C=CC(O)NC1CC(OCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]amino]prop-2-en-1-ol?
The InChIKey is KCVBWBLBXCRSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-2-14(20)19-12-7-13(8-12)21-9-10-4-3-5-11(6-10)15(16,17)18/h2-6,12-14,19-20H,1,7-9H2.
What are the key properties of 1-[[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]amino]prop-2-en-1-ol?
1-[[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]amino]prop-2-en-1-ol has a molecular weight of 301.31 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]amino]prop-2-en-1-ol is sourced from PubChem (CID 166925048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).