2-[(1R)-1-aminobutyl]-6-methoxyphenol

C11H17NO2 — CID 171212277

IUPAC2-[(1R)-1-aminobutyl]-6-methoxyphenol
SMILESCCC[C@@H](N)c1cccc(OC)c1O
InChIInChI=1S/C11H17NO2/c1-3-5-9(12)8-6-4-7-10(14-2)11(8)13/h4,6-7,9,13H,3,5,12H2,1-2H3/t9-/m1/s1
InChIKeyBDYMJMJHHJMIKV-SECBINFHSA-N
MW195.26 g/mol
LogP2.20
Rot. Bonds4

About 2-[(1R)-1-aminobutyl]-6-methoxyphenol

2-[(1R)-1-aminobutyl]-6-methoxyphenol (PubChem CID 171212277) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[(1R)-1-aminobutyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(1R)-1-aminobutyl]-6-methoxyphenol
PubChem CID171212277
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[(1R)-1-aminobutyl]-6-methoxyphenol
SMILESCCC[C@@H](N)c1cccc(OC)c1O
InChIInChI=1S/C11H17NO2/c1-3-5-9(12)8-6-4-7-10(14-2)11(8)13/h4,6-7,9,13H,3,5,12H2,1-2H3/t9-/m1/s1
InChIKeyBDYMJMJHHJMIKV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride
CID 171231919
2-[(1R)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171231915
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171212313
1-(2-chloro-3-methoxyphenyl)butan-1-amine
CID 86262887
ethyl (3R)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoate
CID 171212314
3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide
CID 170875664
(3S)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanenitrile;hydrochloride
CID 171260133
2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol
CID 167458062
2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride
CID 171231890
methyl (3S)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoate;hydrochloride
CID 171243705
ethyl (3R)-3-amino-2-fluoro-3-(2-hydroxy-3-methoxyphenyl)propanoate
CID 171243721
2-(2-amino-1-hydroxyethyl)-6-methoxyphenol
CID 16768128

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminobutyl]-6-methoxyphenol?
The IUPAC name of 2-[(1R)-1-aminobutyl]-6-methoxyphenol (CID 171212277) is 2-[(1R)-1-aminobutyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(1R)-1-aminobutyl]-6-methoxyphenol?
The canonical SMILES for 2-[(1R)-1-aminobutyl]-6-methoxyphenol is CCC[C@@H](N)c1cccc(OC)c1O.
What is the InChIKey of 2-[(1R)-1-aminobutyl]-6-methoxyphenol?
The InChIKey is BDYMJMJHHJMIKV-SECBINFHSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-5-9(12)8-6-4-7-10(14-2)11(8)13/h4,6-7,9,13H,3,5,12H2,1-2H3/t9-/m1/s1.
What are the key properties of 2-[(1R)-1-aminobutyl]-6-methoxyphenol?
2-[(1R)-1-aminobutyl]-6-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 2-[(1R)-1-aminobutyl]-6-methoxyphenol is sourced from PubChem (CID 171212277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).