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

C13H21NO3 — CID 115978569

IUPAC4-[(2-hydroxypentylamino)methyl]-2-methoxyphenol
SMILESCCCC(O)CNCc1ccc(O)c(OC)c1
InChIInChI=1S/C13H21NO3/c1-3-4-11(15)9-14-8-10-5-6-12(16)13(7-10)17-2/h5-7,11,14-16H,3-4,8-9H2,1-2H3
InChIKeyFDSLFYLVJYIWPQ-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.65
Rot. Bonds7

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

4-[(2-hydroxypentylamino)methyl]-2-methoxyphenol (PubChem CID 115978569) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-[(2-hydroxypentylamino)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(2-hydroxypentylamino)methyl]-2-methoxyphenol
PubChem CID115978569
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-[(2-hydroxypentylamino)methyl]-2-methoxyphenol
SMILESCCCC(O)CNCc1ccc(O)c(OC)c1
InChIInChI=1S/C13H21NO3/c1-3-4-11(15)9-14-8-10-5-6-12(16)13(7-10)17-2/h5-7,11,14-16H,3-4,8-9H2,1-2H3
InChIKeyFDSLFYLVJYIWPQ-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

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Related Compounds

1-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-2-ol
CID 115623406
4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-2-methoxyphenol
CID 114093294
4-[[(3-hydroxy-4-methoxybutyl)amino]methyl]-2-methoxyphenol
CID 103953827
1-[(3,4-dimethoxyphenyl)methylamino]butan-2-ol
CID 60886428
2-methoxy-4-[(nonylamino)methyl]phenol
CID 15788102
1-[(2,5-dimethoxyphenyl)methylamino]pentan-2-ol
CID 111118852
4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101
4-(3-hydroxyheptyl)-2-methoxyphenol
CID 142945422
5-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-2-methoxyphenol
CID 111104775
4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol
CID 103953654
(3R,5R)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
CID 10883331
5-[(2-ethylbutylamino)methyl]-2-methoxyphenol
CID 83295597

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxypentylamino)methyl]-2-methoxyphenol?
The IUPAC name of 4-[(2-hydroxypentylamino)methyl]-2-methoxyphenol (CID 115978569) is 4-[(2-hydroxypentylamino)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(2-hydroxypentylamino)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(2-hydroxypentylamino)methyl]-2-methoxyphenol is CCCC(O)CNCc1ccc(O)c(OC)c1.
What is the InChIKey of 4-[(2-hydroxypentylamino)methyl]-2-methoxyphenol?
The InChIKey is FDSLFYLVJYIWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-4-11(15)9-14-8-10-5-6-12(16)13(7-10)17-2/h5-7,11,14-16H,3-4,8-9H2,1-2H3.
What are the key properties of 4-[(2-hydroxypentylamino)methyl]-2-methoxyphenol?
4-[(2-hydroxypentylamino)methyl]-2-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 4-[(2-hydroxypentylamino)methyl]-2-methoxyphenol is sourced from PubChem (CID 115978569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).