3-(4-aminobutyl)-2-methoxyphenol

C11H17NO2 — CID 117285526

IUPAC3-(4-aminobutyl)-2-methoxyphenol
SMILESCOc1c(O)cccc1CCCCN
InChIInChI=1S/C11H17NO2/c1-14-11-9(5-2-3-8-12)6-4-7-10(11)13/h4,6-7,13H,2-3,5,8,12H2,1H3
InChIKeyGFFFJMMIHCGTNO-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.68
Rot. Bonds5

About 3-(4-aminobutyl)-2-methoxyphenol

3-(4-aminobutyl)-2-methoxyphenol (PubChem CID 117285526) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-(4-aminobutyl)-2-methoxyphenol.

Molecular Properties

Compound Name3-(4-aminobutyl)-2-methoxyphenol
PubChem CID117285526
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-(4-aminobutyl)-2-methoxyphenol
SMILESCOc1c(O)cccc1CCCCN
InChIInChI=1S/C11H17NO2/c1-14-11-9(5-2-3-8-12)6-4-7-10(11)13/h4,6-7,13H,2-3,5,8,12H2,1H3
InChIKeyGFFFJMMIHCGTNO-UHFFFAOYSA-N
XLogP1.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-naphthalen-1-yloctan-1-amine
CID 100987116
2-(4-aminobutyl)-6-fluorophenol
CID 117279586
2-(4-aminobutyl)benzene-1,3-diol
CID 117278743
4-(8-methoxyquinolin-4-yl)butan-1-amine
CID 10609508
4-isoquinolin-8-ylbutan-1-amine
CID 82577641
4-(4-methoxy-1-methylindol-5-yl)butan-1-amine
CID 117336846
2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid
CID 117301143
4-(2-ethyl-3,4-dimethoxyphenyl)butan-1-amine
CID 117347670
2-(4-aminobutyl)-6-chloroaniline
CID 105451896
4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine
CID 82255348
1-(3-bromopropyl)-3-fluoro-2-methoxybenzene
CID 118853515
2-(2-methoxy-3-methylsulfanylphenyl)ethanamine
CID 117287338

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobutyl)-2-methoxyphenol?
The IUPAC name of 3-(4-aminobutyl)-2-methoxyphenol (CID 117285526) is 3-(4-aminobutyl)-2-methoxyphenol.
What is the SMILES notation for 3-(4-aminobutyl)-2-methoxyphenol?
The canonical SMILES for 3-(4-aminobutyl)-2-methoxyphenol is COc1c(O)cccc1CCCCN.
What is the InChIKey of 3-(4-aminobutyl)-2-methoxyphenol?
The InChIKey is GFFFJMMIHCGTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-14-11-9(5-2-3-8-12)6-4-7-10(11)13/h4,6-7,13H,2-3,5,8,12H2,1H3.
What are the key properties of 3-(4-aminobutyl)-2-methoxyphenol?
3-(4-aminobutyl)-2-methoxyphenol has a molecular weight of 195.26 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobutyl)-2-methoxyphenol is sourced from PubChem (CID 117285526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).