2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol

C14H23NO3 — CID 107303120

IUPAC2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)NCCCCCO)c(O)c1
InChIInChI=1S/C14H23NO3/c1-11(15-8-4-3-5-9-16)13-7-6-12(18-2)10-14(13)17/h6-7,10-11,15-17H,3-5,8-9H2,1-2H3
InChIKeyOCAIDXLEYCILCY-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.21
Rot. Bonds8

About 2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol

2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol (PubChem CID 107303120) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol
PubChem CID107303120
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)NCCCCCO)c(O)c1
InChIInChI=1S/C14H23NO3/c1-11(15-8-4-3-5-9-16)13-7-6-12(18-2)10-14(13)17/h6-7,10-11,15-17H,3-5,8-9H2,1-2H3
InChIKeyOCAIDXLEYCILCY-UHFFFAOYSA-N
XLogP2.21
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-aminobutylamino)ethyl]-5-methoxyphenol
CID 60893810
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995
4-[1-(5-hydroxypentylamino)ethyl]benzene-1,3-diol
CID 107316713
2-[1-(hex-5-ynylamino)ethyl]-5-methoxyphenol
CID 104583385
2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol
CID 107303108
2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
CID 104583670
4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 81371223
4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol
CID 106840515
5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
CID 60903278
2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methoxyphenol
CID 104582210
5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
CID 43201039
2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol
CID 43195776

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol?
The IUPAC name of 2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol (CID 107303120) is 2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol is COc1ccc(C(C)NCCCCCO)c(O)c1.
What is the InChIKey of 2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol?
The InChIKey is OCAIDXLEYCILCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11(15-8-4-3-5-9-16)13-7-6-12(18-2)10-14(13)17/h6-7,10-11,15-17H,3-5,8-9H2,1-2H3.
What are the key properties of 2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol?
2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol has a molecular weight of 253.34 g/mol, XLogP of 2.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol is sourced from PubChem (CID 107303120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).