4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol

C16H25NO2 — CID 81130776

IUPAC4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol
SMILESCCc1ccc(C(C)NCC2(O)CCOCC2)cc1
InChIInChI=1S/C16H25NO2/c1-3-14-4-6-15(7-5-14)13(2)17-12-16(18)8-10-19-11-9-16/h4-7,13,17-18H,3,8-12H2,1-2H3
InChIKeyFDTAXZSBWDCOIC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.44
Rot. Bonds5

About 4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol

4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol (PubChem CID 81130776) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol
PubChem CID81130776
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol
SMILESCCc1ccc(C(C)NCC2(O)CCOCC2)cc1
InChIInChI=1S/C16H25NO2/c1-3-14-4-6-15(7-5-14)13(2)17-12-16(18)8-10-19-11-9-16/h4-7,13,17-18H,3,8-12H2,1-2H3
InChIKeyFDTAXZSBWDCOIC-UHFFFAOYSA-N
XLogP2.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(4-hydroxyoxan-4-yl)methylamino]ethyl]benzonitrile
CID 81131112
4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol
CID 81130842
3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol
CID 103904766
1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122937
4-[[1-(3-bromophenyl)ethylamino]methyl]oxan-4-ol
CID 79140113
1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83107346
4-[[1-(4-hydroxyphenyl)propylamino]methyl]oxan-4-ol
CID 81131200
1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 81355924
4-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]oxan-4-ol
CID 106757942
4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]oxan-4-ol
CID 81131119
3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol
CID 103904838
(3R)-3-[[[(1R)-1-(4-bromo-3-methylphenyl)ethyl]amino]methyl]oxolan-3-ol
CID 100679283

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol (CID 81130776) is 4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol is CCc1ccc(C(C)NCC2(O)CCOCC2)cc1.
What is the InChIKey of 4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol?
The InChIKey is FDTAXZSBWDCOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-14-4-6-15(7-5-14)13(2)17-12-16(18)8-10-19-11-9-16/h4-7,13,17-18H,3,8-12H2,1-2H3.
What are the key properties of 4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol?
4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol has a molecular weight of 263.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol is sourced from PubChem (CID 81130776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).