4-(2-amino-5-methoxyphenyl)butan-2-ol

C11H17NO2 — CID 23434309

IUPAC4-(2-amino-5-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(N)c(CCC(C)O)c1
InChIInChI=1S/C11H17NO2/c1-8(13)3-4-9-7-10(14-2)5-6-11(9)12/h5-8,13H,3-4,12H2,1-2H3
InChIKeyQTPOFDFEZZJBKS-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.59
Rot. Bonds4

About 4-(2-amino-5-methoxyphenyl)butan-2-ol

4-(2-amino-5-methoxyphenyl)butan-2-ol (PubChem CID 23434309) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-(2-amino-5-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name4-(2-amino-5-methoxyphenyl)butan-2-ol
PubChem CID23434309
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-(2-amino-5-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(N)c(CCC(C)O)c1
InChIInChI=1S/C11H17NO2/c1-8(13)3-4-9-7-10(14-2)5-6-11(9)12/h5-8,13H,3-4,12H2,1-2H3
InChIKeyQTPOFDFEZZJBKS-UHFFFAOYSA-N
XLogP1.59
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.59
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

4-methoxy-2-[[(2R)-pentan-2-yl]oxymethyl]aniline
CID 125458342
2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide
CID 64927216
4-methoxy-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline
CID 113305256
(2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol
CID 68649923
1-(2-amino-5-methoxyphenyl)-2-methylpropan-1-ol
CID 105449197
1-(2-amino-5-methoxyphenyl)butan-1-ol
CID 112541122
2-[(3-hydroxybutylamino)methyl]-4-methoxyphenol
CID 64929896
1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol
CID 130000045
2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline
CID 115413765
1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol
CID 102878488
4-methoxy-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]aniline
CID 115414078
1-[4-methoxy-2-(methoxymethyl)phenyl]propan-2-ol
CID 117300552

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methoxyphenyl)butan-2-ol?
The IUPAC name of 4-(2-amino-5-methoxyphenyl)butan-2-ol (CID 23434309) is 4-(2-amino-5-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 4-(2-amino-5-methoxyphenyl)butan-2-ol?
The canonical SMILES for 4-(2-amino-5-methoxyphenyl)butan-2-ol is COc1ccc(N)c(CCC(C)O)c1.
What is the InChIKey of 4-(2-amino-5-methoxyphenyl)butan-2-ol?
The InChIKey is QTPOFDFEZZJBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(13)3-4-9-7-10(14-2)5-6-11(9)12/h5-8,13H,3-4,12H2,1-2H3.
What are the key properties of 4-(2-amino-5-methoxyphenyl)butan-2-ol?
4-(2-amino-5-methoxyphenyl)butan-2-ol has a molecular weight of 195.26 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 23434309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).