4-[[1-(4-hydroxyphenyl)propylamino]methyl]oxan-4-ol

C15H23NO3 — CID 81131200

IUPAC4-[[1-(4-hydroxyphenyl)propylamino]methyl]oxan-4-ol
SMILESCCC(NCC1(O)CCOCC1)c1ccc(O)cc1
InChIInChI=1S/C15H23NO3/c1-2-14(12-3-5-13(17)6-4-12)16-11-15(18)7-9-19-10-8-15/h3-6,14,16-18H,2,7-11H2,1H3
InChIKeySFOMFDAWXXFSTK-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.97
Rot. Bonds5

About 4-[[1-(4-hydroxyphenyl)propylamino]methyl]oxan-4-ol

4-[[1-(4-hydroxyphenyl)propylamino]methyl]oxan-4-ol (PubChem CID 81131200) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[[1-(4-hydroxyphenyl)propylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[1-(4-hydroxyphenyl)propylamino]methyl]oxan-4-ol
PubChem CID81131200
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-[[1-(4-hydroxyphenyl)propylamino]methyl]oxan-4-ol
SMILESCCC(NCC1(O)CCOCC1)c1ccc(O)cc1
InChIInChI=1S/C15H23NO3/c1-2-14(12-3-5-13(17)6-4-12)16-11-15(18)7-9-19-10-8-15/h3-6,14,16-18H,2,7-11H2,1H3
InChIKeySFOMFDAWXXFSTK-UHFFFAOYSA-N
XLogP1.97
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(3-fluorophenyl)propylamino]methyl]oxan-4-ol
CID 114871723
4-[(1-phenylbutylamino)methyl]oxan-4-ol
CID 81130769
4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol
CID 97342031
4-[1-[[1-(dimethylamino)cyclopentyl]methylamino]propyl]phenol
CID 83116508
4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol
CID 81130776
4-[1-[(1-methylsulfanylcyclobutyl)methylamino]propyl]phenol
CID 114115711
4-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]propyl]phenol
CID 107163202
3-[[1-(5-bromo-2-hydroxyphenyl)propylamino]methyl]oxolan-3-ol
CID 104925231
4-[1-[(4-hydroxyoxan-4-yl)methylamino]ethyl]benzonitrile
CID 81131112
4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol
CID 81130842
1-[[1-(3,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol
CID 65106925
3-[[1-(2-methoxyphenyl)propylamino]methyl]oxolan-3-ol
CID 103904872

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-hydroxyphenyl)propylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[1-(4-hydroxyphenyl)propylamino]methyl]oxan-4-ol (CID 81131200) is 4-[[1-(4-hydroxyphenyl)propylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[1-(4-hydroxyphenyl)propylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[1-(4-hydroxyphenyl)propylamino]methyl]oxan-4-ol is CCC(NCC1(O)CCOCC1)c1ccc(O)cc1.
What is the InChIKey of 4-[[1-(4-hydroxyphenyl)propylamino]methyl]oxan-4-ol?
The InChIKey is SFOMFDAWXXFSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-14(12-3-5-13(17)6-4-12)16-11-15(18)7-9-19-10-8-15/h3-6,14,16-18H,2,7-11H2,1H3.
What are the key properties of 4-[[1-(4-hydroxyphenyl)propylamino]methyl]oxan-4-ol?
4-[[1-(4-hydroxyphenyl)propylamino]methyl]oxan-4-ol has a molecular weight of 265.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-hydroxyphenyl)propylamino]methyl]oxan-4-ol is sourced from PubChem (CID 81131200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).