4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol

C16H25NO2 — CID 115746894

IUPAC4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
SMILESCCc1ccc(CN(C)CC2(O)CCOCC2)cc1
InChIInChI=1S/C16H25NO2/c1-3-14-4-6-15(7-5-14)12-17(2)13-16(18)8-10-19-11-9-16/h4-7,18H,3,8-13H2,1-2H3
InChIKeyZHQAZJBQSPJMJV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.22
Rot. Bonds5

About 4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol

4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol (PubChem CID 115746894) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
PubChem CID115746894
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
SMILESCCc1ccc(CN(C)CC2(O)CCOCC2)cc1
InChIInChI=1S/C16H25NO2/c1-3-14-4-6-15(7-5-14)12-17(2)13-16(18)8-10-19-11-9-16/h4-7,18H,3,8-13H2,1-2H3
InChIKeyZHQAZJBQSPJMJV-UHFFFAOYSA-N
XLogP2.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 113269052
4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 114952780
4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746943
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746890
4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114952785
4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 113269047
4-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]oxan-4-ol
CID 115746934
4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol
CID 114953250
4-[(4-ethylphenoxy)methyl]oxan-4-ol
CID 126703265
4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114948809
4-(4-ethylphenyl)oxan-4-ol
CID 63222829

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol (CID 115746894) is 4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol is CCc1ccc(CN(C)CC2(O)CCOCC2)cc1.
What is the InChIKey of 4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol?
The InChIKey is ZHQAZJBQSPJMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-14-4-6-15(7-5-14)12-17(2)13-16(18)8-10-19-11-9-16/h4-7,18H,3,8-13H2,1-2H3.
What are the key properties of 4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol?
4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol has a molecular weight of 263.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 115746894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).