2-methyl-3-[[[4-(trifluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol

C14H18F3NO3 — CID 107268326

IUPAC2-methyl-3-[[[4-(trifluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO3/c1-10-13(19,6-7-20-10)9-18-8-11-2-4-12(5-3-11)21-14(15,16)17/h2-5,10,18-19H,6-9H2,1H3
InChIKeyIXNLWEZLONEMEV-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.21
Rot. Bonds5

About 2-methyl-3-[[[4-(trifluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol

2-methyl-3-[[[4-(trifluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol (PubChem CID 107268326) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-methyl-3-[[[4-(trifluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[[4-(trifluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol
PubChem CID107268326
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name2-methyl-3-[[[4-(trifluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO3/c1-10-13(19,6-7-20-10)9-18-8-11-2-4-12(5-3-11)21-14(15,16)17/h2-5,10,18-19H,6-9H2,1H3
InChIKeyIXNLWEZLONEMEV-UHFFFAOYSA-N
XLogP2.21
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3,4-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268322
3-[[(3-ethoxy-4-hydroxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 106100239
3-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 106100120
3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268149
N-[(1-methylsulfanylcyclopropyl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 107267440
2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol
CID 107268488
2-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol
CID 65148770
[1-[[4-(trifluoromethoxy)phenyl]methylamino]cyclopropyl]methanol
CID 115763085
2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268404
3-[[[3-(4-methoxyphenyl)cyclobutyl]amino]methyl]-2-methyloxolan-3-ol
CID 106100153
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477
1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 63453620

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[[4-(trifluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[[4-(trifluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol (CID 107268326) is 2-methyl-3-[[[4-(trifluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[[4-(trifluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[[4-(trifluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol is CC1OCCC1(O)CNCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-3-[[[4-(trifluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol?
The InChIKey is IXNLWEZLONEMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3/c1-10-13(19,6-7-20-10)9-18-8-11-2-4-12(5-3-11)21-14(15,16)17/h2-5,10,18-19H,6-9H2,1H3.
What are the key properties of 2-methyl-3-[[[4-(trifluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol?
2-methyl-3-[[[4-(trifluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol has a molecular weight of 305.30 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[[4-(trifluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 107268326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).