3-(2-amino-5-methoxyphenyl)pentan-3-ol

C12H19NO2 — CID 67269604

IUPAC3-(2-amino-5-methoxyphenyl)pentan-3-ol
SMILESCCC(O)(CC)c1cc(OC)ccc1N
InChIInChI=1S/C12H19NO2/c1-4-12(14,5-2)10-8-9(15-3)6-7-11(10)13/h6-8,14H,4-5,13H2,1-3H3
InChIKeyXURFQTKJAYRMMD-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.29
Rot. Bonds4

About 3-(2-amino-5-methoxyphenyl)pentan-3-ol

3-(2-amino-5-methoxyphenyl)pentan-3-ol (PubChem CID 67269604) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(2-amino-5-methoxyphenyl)pentan-3-ol.

Molecular Properties

Compound Name3-(2-amino-5-methoxyphenyl)pentan-3-ol
PubChem CID67269604
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-(2-amino-5-methoxyphenyl)pentan-3-ol
SMILESCCC(O)(CC)c1cc(OC)ccc1N
InChIInChI=1S/C12H19NO2/c1-4-12(14,5-2)10-8-9(15-3)6-7-11(10)13/h6-8,14H,4-5,13H2,1-3H3
InChIKeyXURFQTKJAYRMMD-UHFFFAOYSA-N
XLogP2.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromo-5-methoxyphenyl)pentan-3-ol
CID 72942483
4-methoxy-2-(trifluoromethyl)aniline
CID 22601721
3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid
CID 112501672
4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline
CID 26189930
2-N-(2,2-dimethylbutyl)-4-methoxybenzene-1,2-diamine
CID 103460178
4-methoxy-2-(2-methylbutan-2-yl)phenol
CID 11557455
2-(2-amino-5-methoxyanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107845814
1-(2-amino-5-methoxyphenyl)butan-1-ol
CID 112541122
2-diethoxyphosphoryl-4-methoxyaniline
CID 166610106
2-fluoro-4-methoxyaniline
CID 3756383
3-(2-amino-5-chloro-4-methylphenyl)pentan-3-ol
CID 168788233

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-methoxyphenyl)pentan-3-ol?
The IUPAC name of 3-(2-amino-5-methoxyphenyl)pentan-3-ol (CID 67269604) is 3-(2-amino-5-methoxyphenyl)pentan-3-ol.
What is the SMILES notation for 3-(2-amino-5-methoxyphenyl)pentan-3-ol?
The canonical SMILES for 3-(2-amino-5-methoxyphenyl)pentan-3-ol is CCC(O)(CC)c1cc(OC)ccc1N.
What is the InChIKey of 3-(2-amino-5-methoxyphenyl)pentan-3-ol?
The InChIKey is XURFQTKJAYRMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-12(14,5-2)10-8-9(15-3)6-7-11(10)13/h6-8,14H,4-5,13H2,1-3H3.
What are the key properties of 3-(2-amino-5-methoxyphenyl)pentan-3-ol?
3-(2-amino-5-methoxyphenyl)pentan-3-ol has a molecular weight of 209.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-methoxyphenyl)pentan-3-ol is sourced from PubChem (CID 67269604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).