2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol

C15H23NO3 — CID 65107155

IUPAC2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)NCC2(O)CCCC2)c1
InChIInChI=1S/C15H23NO3/c1-11(16-10-15(18)7-3-4-8-15)13-9-12(19-2)5-6-14(13)17/h5-6,9,11,16-18H,3-4,7-8,10H2,1-2H3
InChIKeySUZFPAAJLBTCNT-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.36
Rot. Bonds5

About 2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol

2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol (PubChem CID 65107155) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol
PubChem CID65107155
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)NCC2(O)CCCC2)c1
InChIInChI=1S/C15H23NO3/c1-11(16-10-15(18)7-3-4-8-15)13-9-12(19-2)5-6-14(13)17/h5-6,9,11,16-18H,3-4,7-8,10H2,1-2H3
InChIKeySUZFPAAJLBTCNT-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
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

2-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]-4-methoxyphenol
CID 65115330
2-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-4-methoxyphenol
CID 103965826
4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol
CID 43189507
2-[1-(but-2-ynylamino)ethyl]-4-methoxyphenol
CID 115900748
4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol
CID 81134000
4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol
CID 65105787
5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
CID 113429442
2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol
CID 65107647
1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65123420
2-[1-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethyl]-4-methylphenol
CID 65115152
1-[[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 111121649
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol?
The IUPAC name of 2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol (CID 65107155) is 2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol?
The canonical SMILES for 2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol is COc1ccc(O)c(C(C)NCC2(O)CCCC2)c1.
What is the InChIKey of 2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol?
The InChIKey is SUZFPAAJLBTCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(16-10-15(18)7-3-4-8-15)13-9-12(19-2)5-6-14(13)17/h5-6,9,11,16-18H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol?
2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol has a molecular weight of 265.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol is sourced from PubChem (CID 65107155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).