2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol

C15H23NO3 — CID 63933499

IUPAC2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
SMILESCCOc1cccc(CNCC2(O)CCCC2)c1O
InChIInChI=1S/C15H23NO3/c1-2-19-13-7-5-6-12(14(13)17)10-16-11-15(18)8-3-4-9-15/h5-7,16-18H,2-4,8-11H2,1H3
InChIKeyKNTZWBFILGEQQI-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.19
Rot. Bonds6

About 2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol

2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol (PubChem CID 63933499) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
PubChem CID63933499
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
SMILESCCOc1cccc(CNCC2(O)CCCC2)c1O
InChIInChI=1S/C15H23NO3/c1-2-19-13-7-5-6-12(14(13)17)10-16-11-15(18)8-3-4-9-15/h5-7,16-18H,2-4,8-11H2,1H3
InChIKeyKNTZWBFILGEQQI-UHFFFAOYSA-N
XLogP2.19
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866382
2-bromo-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 63934114
2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 112606953
1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60908745
1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 104791869
2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol
CID 103701805
2-[[2-(dimethylamino)propylamino]methyl]-6-ethoxyphenol
CID 54913244
2-[[(2,2-dimethylcyclohexyl)amino]methyl]-6-ethoxyphenol
CID 79861425
2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol
CID 115405717
2-[[(1-ethylcyclobutyl)methylamino]methyl]-6-methoxyphenol
CID 103741124
2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol
CID 65039266
2-[(3,3-dimethylbutylamino)methyl]-6-ethoxyphenol
CID 115603081

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol (CID 63933499) is 2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol is CCOc1cccc(CNCC2(O)CCCC2)c1O.
What is the InChIKey of 2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol?
The InChIKey is KNTZWBFILGEQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-19-13-7-5-6-12(14(13)17)10-16-11-15(18)8-3-4-9-15/h5-7,16-18H,2-4,8-11H2,1H3.
What are the key properties of 2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol?
2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol has a molecular weight of 265.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol is sourced from PubChem (CID 63933499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).