5-[(1R)-1-aminobutyl]-2-methoxyphenol

C11H17NO2 — CID 162344326

IUPAC5-[(1R)-1-aminobutyl]-2-methoxyphenol
SMILESCCC[C@@H](N)c1ccc(OC)c(O)c1
InChIInChI=1S/C11H17NO2/c1-3-4-9(12)8-5-6-11(14-2)10(13)7-8/h5-7,9,13H,3-4,12H2,1-2H3/t9-/m1/s1
InChIKeyJAPUXBGNMRORFL-SECBINFHSA-N
MW195.26 g/mol
LogP2.20
Rot. Bonds4

About 5-[(1R)-1-aminobutyl]-2-methoxyphenol

5-[(1R)-1-aminobutyl]-2-methoxyphenol (PubChem CID 162344326) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 5-[(1R)-1-aminobutyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(1R)-1-aminobutyl]-2-methoxyphenol
PubChem CID162344326
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name5-[(1R)-1-aminobutyl]-2-methoxyphenol
SMILESCCC[C@@H](N)c1ccc(OC)c(O)c1
InChIInChI=1S/C11H17NO2/c1-3-4-9(12)8-5-6-11(14-2)10(13)7-8/h5-7,9,13H,3-4,12H2,1-2H3/t9-/m1/s1
InChIKeyJAPUXBGNMRORFL-SECBINFHSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1S)-1-aminobutyl]-2-methoxyphenol;hydrochloride
CID 162344324
5-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 162344330
4-[(1R)-1-aminobutyl]benzene-1,2-diol
CID 130624764
[4-[(1R)-1-aminobutyl]-2-hydroxyphenyl] acetate;hydrochloride
CID 171214090
5-[(1R)-1-amino-3-methylbutyl]-2-methoxyphenol
CID 171199295
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
5-[(1S)-1-aminoethyl]-2-methoxyphenol
CID 55253033
(3S)-3-amino-3-(3-hydroxy-4-methoxyphenyl)propanenitrile;hydrochloride
CID 171259831
5-(1-hydroxydodecyl)-2-methoxyphenol
CID 139789005
ethyl (3S)-3-amino-2-fluoro-3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 171246008
ethyl (3R)-3-amino-2-fluoro-3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 171239296
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-aminobutyl]-2-methoxyphenol?
The IUPAC name of 5-[(1R)-1-aminobutyl]-2-methoxyphenol (CID 162344326) is 5-[(1R)-1-aminobutyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(1R)-1-aminobutyl]-2-methoxyphenol?
The canonical SMILES for 5-[(1R)-1-aminobutyl]-2-methoxyphenol is CCC[C@@H](N)c1ccc(OC)c(O)c1.
What is the InChIKey of 5-[(1R)-1-aminobutyl]-2-methoxyphenol?
The InChIKey is JAPUXBGNMRORFL-SECBINFHSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-4-9(12)8-5-6-11(14-2)10(13)7-8/h5-7,9,13H,3-4,12H2,1-2H3/t9-/m1/s1.
What are the key properties of 5-[(1R)-1-aminobutyl]-2-methoxyphenol?
5-[(1R)-1-aminobutyl]-2-methoxyphenol has a molecular weight of 195.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-aminobutyl]-2-methoxyphenol is sourced from PubChem (CID 162344326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).