3-[1-(aminomethyl)naphthalen-2-yl]oxy-1,1,1-trifluoropropan-2-ol

C14H14F3NO2 — CID 63901440

IUPAC3-[1-(aminomethyl)naphthalen-2-yl]oxy-1,1,1-trifluoropropan-2-ol
SMILESNCc1c(OCC(O)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C14H14F3NO2/c15-14(16,17)13(19)8-20-12-6-5-9-3-1-2-4-10(9)11(12)7-18/h1-6,13,19H,7-8,18H2
InChIKeyPVTRJAPMTBQEHR-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.60
Rot. Bonds4

About 3-[1-(aminomethyl)naphthalen-2-yl]oxy-1,1,1-trifluoropropan-2-ol

3-[1-(aminomethyl)naphthalen-2-yl]oxy-1,1,1-trifluoropropan-2-ol (PubChem CID 63901440) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is 3-[1-(aminomethyl)naphthalen-2-yl]oxy-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[1-(aminomethyl)naphthalen-2-yl]oxy-1,1,1-trifluoropropan-2-ol
PubChem CID63901440
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name3-[1-(aminomethyl)naphthalen-2-yl]oxy-1,1,1-trifluoropropan-2-ol
SMILESNCc1c(OCC(O)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C14H14F3NO2/c15-14(16,17)13(19)8-20-12-6-5-9-3-1-2-4-10(9)11(12)7-18/h1-6,13,19H,7-8,18H2
InChIKeyPVTRJAPMTBQEHR-UHFFFAOYSA-N
XLogP2.60
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(aminomethyl)naphthalen-2-yl]oxy-1,1,1-trifluoropropan-2-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

1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol
CID 60888861
[2-(2-methylpentoxy)naphthalen-1-yl]methanamine
CID 62266046
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol
CID 78954047
2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide
CID 69220886
[2-(ethoxymethoxy)naphthalen-1-yl]methanamine
CID 65369670
[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]methanamine
CID 20985427
2-[1-(aminomethyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylethanone
CID 43505486
[2-[(3-fluorophenyl)methoxy]naphthalen-1-yl]methanamine
CID 43505452
1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol
CID 60889616
[2-[2-(2,3,5-trimethylphenoxy)ethoxy]naphthalen-1-yl]methanamine
CID 20984389
[2-(oxan-4-ylmethoxy)naphthalen-1-yl]methanamine
CID 62386750
[2-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-yl]methanamine
CID 60887305

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)naphthalen-2-yl]oxy-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[1-(aminomethyl)naphthalen-2-yl]oxy-1,1,1-trifluoropropan-2-ol (CID 63901440) is 3-[1-(aminomethyl)naphthalen-2-yl]oxy-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[1-(aminomethyl)naphthalen-2-yl]oxy-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[1-(aminomethyl)naphthalen-2-yl]oxy-1,1,1-trifluoropropan-2-ol is NCc1c(OCC(O)C(F)(F)F)ccc2ccccc12.
What is the InChIKey of 3-[1-(aminomethyl)naphthalen-2-yl]oxy-1,1,1-trifluoropropan-2-ol?
The InChIKey is PVTRJAPMTBQEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c15-14(16,17)13(19)8-20-12-6-5-9-3-1-2-4-10(9)11(12)7-18/h1-6,13,19H,7-8,18H2.
What are the key properties of 3-[1-(aminomethyl)naphthalen-2-yl]oxy-1,1,1-trifluoropropan-2-ol?
3-[1-(aminomethyl)naphthalen-2-yl]oxy-1,1,1-trifluoropropan-2-ol has a molecular weight of 285.26 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)naphthalen-2-yl]oxy-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63901440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).