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

C14H18F3NO3 — CID 103645114

IUPAC4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]oxan-4-ol
SMILESOC1(CNCc2cccc(OC(F)(F)F)c2)CCOCC1
InChIInChI=1S/C14H18F3NO3/c15-14(16,17)21-12-3-1-2-11(8-12)9-18-10-13(19)4-6-20-7-5-13/h1-3,8,18-19H,4-7,9-10H2
InChIKeyBDNLYKFWRZFTQW-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.22
Rot. Bonds5

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

4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]oxan-4-ol (PubChem CID 103645114) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]oxan-4-ol
PubChem CID103645114
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]oxan-4-ol
SMILESOC1(CNCc2cccc(OC(F)(F)F)c2)CCOCC1
InChIInChI=1S/C14H18F3NO3/c15-14(16,17)21-12-3-1-2-11(8-12)9-18-10-13(19)4-6-20-7-5-13/h1-3,8,18-19H,4-7,9-10H2
InChIKeyBDNLYKFWRZFTQW-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]phenoxy]acetonitrile
CID 81130666
4-[[[3-(3-methoxypropoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 119115069
4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol
CID 78928927
2-[[3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]phenoxy]methyl]benzonitrile
CID 119126398
1-(oxan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 103643870
[[3-(trifluoromethoxy)phenyl]methylamino]methanethiol
CID 59517995
N'-hydroxy-3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]benzenecarboximidamide
CID 81130732
N-[[3-(trifluoromethoxy)phenyl]methyl]but-2-yn-1-amine
CID 103868570
3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol
CID 115765990
4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 106127419
3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol
CID 103848358
4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 78928791

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]oxan-4-ol (CID 103645114) is 4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]oxan-4-ol is OC1(CNCc2cccc(OC(F)(F)F)c2)CCOCC1.
What is the InChIKey of 4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]oxan-4-ol?
The InChIKey is BDNLYKFWRZFTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3/c15-14(16,17)21-12-3-1-2-11(8-12)9-18-10-13(19)4-6-20-7-5-13/h1-3,8,18-19H,4-7,9-10H2.
What are the key properties of 4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]oxan-4-ol?
4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]oxan-4-ol has a molecular weight of 305.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 103645114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).