2-(5-amino-4-hydroxypentan-2-yl)-6-methoxyphenol

C12H19NO3 — CID 83930686

IUPAC2-(5-amino-4-hydroxypentan-2-yl)-6-methoxyphenol
SMILESCOc1cccc(C(C)CC(O)CN)c1O
InChIInChI=1S/C12H19NO3/c1-8(6-9(14)7-13)10-4-3-5-11(16-2)12(10)15/h3-5,8-9,14-15H,6-7,13H2,1-2H3
InChIKeyKMMCNZIUQMAJJH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.21
Rot. Bonds5

About 2-(5-amino-4-hydroxypentan-2-yl)-6-methoxyphenol

2-(5-amino-4-hydroxypentan-2-yl)-6-methoxyphenol (PubChem CID 83930686) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(5-amino-4-hydroxypentan-2-yl)-6-methoxyphenol.

Molecular Properties

Compound Name2-(5-amino-4-hydroxypentan-2-yl)-6-methoxyphenol
PubChem CID83930686
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(5-amino-4-hydroxypentan-2-yl)-6-methoxyphenol
SMILESCOc1cccc(C(C)CC(O)CN)c1O
InChIInChI=1S/C12H19NO3/c1-8(6-9(14)7-13)10-4-3-5-11(16-2)12(10)15/h3-5,8-9,14-15H,6-7,13H2,1-2H3
InChIKeyKMMCNZIUQMAJJH-UHFFFAOYSA-N
XLogP1.21
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-1-hydroxyethyl)-6-methoxyphenol
CID 16768128
5-(2-hydroxy-3-methoxyphenyl)hexane-2,3-diol
CID 112718404
3-(2-hydroxy-3-methoxyphenyl)butanal
CID 83830642
1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol
CID 83943372
3-amino-2-(2-hydroxy-3-methoxyphenyl)propanoic acid
CID 22339835
2-(3-amino-4-hydroxybutan-2-yl)-6-methoxyphenol
CID 83909620
1-amino-4-(5-bromo-2,4-dimethoxyphenyl)pentan-2-ol
CID 83925936
1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol
CID 83937557
ethyl 2,3-dihydroxy-3-(2-hydroxy-3-methoxyphenyl)propanoate
CID 171865973
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171212313
2-[(1R)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171231915
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-hydroxypentan-2-yl)-6-methoxyphenol?
The IUPAC name of 2-(5-amino-4-hydroxypentan-2-yl)-6-methoxyphenol (CID 83930686) is 2-(5-amino-4-hydroxypentan-2-yl)-6-methoxyphenol.
What is the SMILES notation for 2-(5-amino-4-hydroxypentan-2-yl)-6-methoxyphenol?
The canonical SMILES for 2-(5-amino-4-hydroxypentan-2-yl)-6-methoxyphenol is COc1cccc(C(C)CC(O)CN)c1O.
What is the InChIKey of 2-(5-amino-4-hydroxypentan-2-yl)-6-methoxyphenol?
The InChIKey is KMMCNZIUQMAJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8(6-9(14)7-13)10-4-3-5-11(16-2)12(10)15/h3-5,8-9,14-15H,6-7,13H2,1-2H3.
What are the key properties of 2-(5-amino-4-hydroxypentan-2-yl)-6-methoxyphenol?
2-(5-amino-4-hydroxypentan-2-yl)-6-methoxyphenol has a molecular weight of 225.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-hydroxypentan-2-yl)-6-methoxyphenol is sourced from PubChem (CID 83930686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).