1-(2-amino-3-methoxyphenyl)butan-1-ol

C11H17NO2 — CID 105449196

IUPAC1-(2-amino-3-methoxyphenyl)butan-1-ol
SMILESCCCC(O)c1cccc(OC)c1N
InChIInChI=1S/C11H17NO2/c1-3-5-9(13)8-6-4-7-10(14-2)11(8)12/h4,6-7,9,13H,3,5,12H2,1-2H3
InChIKeyAKLWFSMGFQDLOL-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.11
Rot. Bonds4

About 1-(2-amino-3-methoxyphenyl)butan-1-ol

1-(2-amino-3-methoxyphenyl)butan-1-ol (PubChem CID 105449196) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(2-amino-3-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name1-(2-amino-3-methoxyphenyl)butan-1-ol
PubChem CID105449196
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-(2-amino-3-methoxyphenyl)butan-1-ol
SMILESCCCC(O)c1cccc(OC)c1N
InChIInChI=1S/C11H17NO2/c1-3-5-9(13)8-6-4-7-10(14-2)11(8)12/h4,6-7,9,13H,3,5,12H2,1-2H3
InChIKeyAKLWFSMGFQDLOL-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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

1-(2-amino-3-methoxyphenyl)propane-1,3-diol
CID 105450647
1-(2-amino-3-methoxyphenyl)-4,4,4-trifluorobutan-1-ol
CID 107469294
1-(2-amino-3-methoxyphenyl)hex-4-yn-1-ol
CID 107469362
1-(2-amino-3-methoxyphenyl)-2-(4-chlorophenyl)ethanol
CID 107469515
1-(2-amino-3-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 107469348
1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol
CID 83951053
(1R)-1-(2,3-dimethoxyphenyl)octan-1-ol
CID 124562849
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
2-[(1R)-1-aminobutyl]-6-methoxyphenol
CID 171212277
(2-amino-3-methoxyphenyl)-cyclohexylmethanol
CID 105496694
1-(2-amino-3-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 107469320
(R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 124565399

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methoxyphenyl)butan-1-ol?
The IUPAC name of 1-(2-amino-3-methoxyphenyl)butan-1-ol (CID 105449196) is 1-(2-amino-3-methoxyphenyl)butan-1-ol.
What is the SMILES notation for 1-(2-amino-3-methoxyphenyl)butan-1-ol?
The canonical SMILES for 1-(2-amino-3-methoxyphenyl)butan-1-ol is CCCC(O)c1cccc(OC)c1N.
What is the InChIKey of 1-(2-amino-3-methoxyphenyl)butan-1-ol?
The InChIKey is AKLWFSMGFQDLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-5-9(13)8-6-4-7-10(14-2)11(8)12/h4,6-7,9,13H,3,5,12H2,1-2H3.
What are the key properties of 1-(2-amino-3-methoxyphenyl)butan-1-ol?
1-(2-amino-3-methoxyphenyl)butan-1-ol has a molecular weight of 195.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 105449196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).