2-[(4-hydroxypentylamino)methyl]-6-methoxyphenol

C13H21NO3 — CID 107267707

IUPAC2-[(4-hydroxypentylamino)methyl]-6-methoxyphenol
SMILESCOc1cccc(CNCCCC(C)O)c1O
InChIInChI=1S/C13H21NO3/c1-10(15)5-4-8-14-9-11-6-3-7-12(17-2)13(11)16/h3,6-7,10,14-16H,4-5,8-9H2,1-2H3
InChIKeyWLJGMXCAVOHHEB-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.65
Rot. Bonds7

About 2-[(4-hydroxypentylamino)methyl]-6-methoxyphenol

2-[(4-hydroxypentylamino)methyl]-6-methoxyphenol (PubChem CID 107267707) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[(4-hydroxypentylamino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(4-hydroxypentylamino)methyl]-6-methoxyphenol
PubChem CID107267707
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[(4-hydroxypentylamino)methyl]-6-methoxyphenol
SMILESCOc1cccc(CNCCCC(C)O)c1O
InChIInChI=1S/C13H21NO3/c1-10(15)5-4-8-14-9-11-6-3-7-12(17-2)13(11)16/h3,6-7,10,14-16H,4-5,8-9H2,1-2H3
InChIKeyWLJGMXCAVOHHEB-UHFFFAOYSA-N
XLogP1.65
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.65
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-methoxy-6-[(pent-4-ynylamino)methyl]phenol
CID 103701806
2-methoxy-6-[(5,5,5-trifluoropentylamino)methyl]phenol
CID 115491524
2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol
CID 64569461
3-[(2-hydroxy-3-methoxyphenyl)methylamino]propanenitrile
CID 28728331
5-(naphthalen-1-ylmethylamino)pentan-2-ol
CID 107267647
5-[(2-methoxy-3-pyridinyl)methylamino]pentan-2-ol
CID 106130584
2-methoxy-6-[(2-methylsulfinylethylamino)methyl]phenol
CID 115632548
5-[(2-ethylphenyl)methylamino]pentan-2-ol
CID 106122637
2-[(4-hydroxypentylamino)methyl]-5-methoxyphenol
CID 107267668
2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol
CID 115655699
5-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]pentan-2-ol
CID 107267848
5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol
CID 114147540

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxypentylamino)methyl]-6-methoxyphenol?
The IUPAC name of 2-[(4-hydroxypentylamino)methyl]-6-methoxyphenol (CID 107267707) is 2-[(4-hydroxypentylamino)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(4-hydroxypentylamino)methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(4-hydroxypentylamino)methyl]-6-methoxyphenol is COc1cccc(CNCCCC(C)O)c1O.
What is the InChIKey of 2-[(4-hydroxypentylamino)methyl]-6-methoxyphenol?
The InChIKey is WLJGMXCAVOHHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10(15)5-4-8-14-9-11-6-3-7-12(17-2)13(11)16/h3,6-7,10,14-16H,4-5,8-9H2,1-2H3.
What are the key properties of 2-[(4-hydroxypentylamino)methyl]-6-methoxyphenol?
2-[(4-hydroxypentylamino)methyl]-6-methoxyphenol has a molecular weight of 239.31 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxypentylamino)methyl]-6-methoxyphenol is sourced from PubChem (CID 107267707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).