4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol

C16H25NO4 — CID 81134000

IUPAC4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol
SMILESCOc1ccc(OC)c(C(C)NCC2(O)CCOCC2)c1
InChIInChI=1S/C16H25NO4/c1-12(17-11-16(18)6-8-21-9-7-16)14-10-13(19-2)4-5-15(14)20-3/h4-5,10,12,17-18H,6-9,11H2,1-3H3
InChIKeyOFNRTZNCFFWWRX-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.90
Rot. Bonds6

About 4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol

4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol (PubChem CID 81134000) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol
PubChem CID81134000
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol
SMILESCOc1ccc(OC)c(C(C)NCC2(O)CCOCC2)c1
InChIInChI=1S/C16H25NO4/c1-12(17-11-16(18)6-8-21-9-7-16)14-10-13(19-2)4-5-15(14)20-3/h4-5,10,12,17-18H,6-9,11H2,1-3H3
InChIKeyOFNRTZNCFFWWRX-UHFFFAOYSA-N
XLogP1.90
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-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

2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol
CID 65107155
5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol
CID 104583357
2-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]-4-methoxyphenol
CID 65115330
4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]oxan-4-ol
CID 81131119
1-(2,5-dimethoxyphenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 61023281
3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide
CID 43400395
3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103778618
(3R)-3-[[[(1R)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]methyl]thiolan-3-ol
CID 97233124
N-[1-(2,5-dimethoxyphenyl)ethyl]hex-5-yn-1-amine
CID 103903654
(1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 9396251
3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol
CID 113383834
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol (CID 81134000) is 4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol is COc1ccc(OC)c(C(C)NCC2(O)CCOCC2)c1.
What is the InChIKey of 4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol?
The InChIKey is OFNRTZNCFFWWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-12(17-11-16(18)6-8-21-9-7-16)14-10-13(19-2)4-5-15(14)20-3/h4-5,10,12,17-18H,6-9,11H2,1-3H3.
What are the key properties of 4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol?
4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol has a molecular weight of 295.38 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol is sourced from PubChem (CID 81134000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).