2-(5-hydroxypentylamino)-3-methoxyphenol

C12H19NO3 — CID 18326935

IUPAC2-(5-hydroxypentylamino)-3-methoxyphenol
SMILESCOc1cccc(O)c1NCCCCCO
InChIInChI=1S/C12H19NO3/c1-16-11-7-5-6-10(15)12(11)13-8-3-2-4-9-14/h5-7,13-15H,2-4,8-9H2,1H3
InChIKeyUHFYRYZLCOBEIY-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.98
Rot. Bonds7

About 2-(5-hydroxypentylamino)-3-methoxyphenol

2-(5-hydroxypentylamino)-3-methoxyphenol (PubChem CID 18326935) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(5-hydroxypentylamino)-3-methoxyphenol.

Molecular Properties

Compound Name2-(5-hydroxypentylamino)-3-methoxyphenol
PubChem CID18326935
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(5-hydroxypentylamino)-3-methoxyphenol
SMILESCOc1cccc(O)c1NCCCCCO
InChIInChI=1S/C12H19NO3/c1-16-11-7-5-6-10(15)12(11)13-8-3-2-4-9-14/h5-7,13-15H,2-4,8-9H2,1H3
InChIKeyUHFYRYZLCOBEIY-UHFFFAOYSA-N
XLogP1.98
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848736
N-(2,6-dimethoxyphenyl)-N',N'-diethylbutane-1,4-diamine
CID 174845555
4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol
CID 115217429
5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol
CID 17206697
4-(2,6-diethylanilino)butan-1-ol
CID 62327687
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929
6-[(6-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848852
5-(4-amino-3-methoxyanilino)pentan-1-ol
CID 107316403
N-(5-hydroxypentyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110437890
3-(4-hydroxybutylamino)benzene-1,2-diol
CID 54456176
5-[1-(2-methoxyphenyl)propylamino]pentan-1-ol
CID 103913240
2,3-bis(octylamino)phenol
CID 67224440

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxypentylamino)-3-methoxyphenol?
The IUPAC name of 2-(5-hydroxypentylamino)-3-methoxyphenol (CID 18326935) is 2-(5-hydroxypentylamino)-3-methoxyphenol.
What is the SMILES notation for 2-(5-hydroxypentylamino)-3-methoxyphenol?
The canonical SMILES for 2-(5-hydroxypentylamino)-3-methoxyphenol is COc1cccc(O)c1NCCCCCO.
What is the InChIKey of 2-(5-hydroxypentylamino)-3-methoxyphenol?
The InChIKey is UHFYRYZLCOBEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-16-11-7-5-6-10(15)12(11)13-8-3-2-4-9-14/h5-7,13-15H,2-4,8-9H2,1H3.
What are the key properties of 2-(5-hydroxypentylamino)-3-methoxyphenol?
2-(5-hydroxypentylamino)-3-methoxyphenol has a molecular weight of 225.29 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxypentylamino)-3-methoxyphenol is sourced from PubChem (CID 18326935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).