2-[1-(dimethylamino)-3-hydroxypropyl]-6-methoxyphenol

C12H19NO3 — CID 83930616

IUPAC2-[1-(dimethylamino)-3-hydroxypropyl]-6-methoxyphenol
SMILESCOc1cccc(C(CCO)N(C)C)c1O
InChIInChI=1S/C12H19NO3/c1-13(2)10(7-8-14)9-5-4-6-11(16-3)12(9)15/h4-6,10,14-15H,7-8H2,1-3H3
InChIKeyZOGHDLBNSTWUQY-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.39
Rot. Bonds5

About 2-[1-(dimethylamino)-3-hydroxypropyl]-6-methoxyphenol

2-[1-(dimethylamino)-3-hydroxypropyl]-6-methoxyphenol (PubChem CID 83930616) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[1-(dimethylamino)-3-hydroxypropyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[1-(dimethylamino)-3-hydroxypropyl]-6-methoxyphenol
PubChem CID83930616
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[1-(dimethylamino)-3-hydroxypropyl]-6-methoxyphenol
SMILESCOc1cccc(C(CCO)N(C)C)c1O
InChIInChI=1S/C12H19NO3/c1-13(2)10(7-8-14)9-5-4-6-11(16-3)12(9)15/h4-6,10,14-15H,7-8H2,1-3H3
InChIKeyZOGHDLBNSTWUQY-UHFFFAOYSA-N
XLogP1.39
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83938229
2-[(1R)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171231915
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171212313
3-(2-methoxyphenyl)pentane-1,5-diol
CID 51050570
2-(2-amino-1-hydroxyethyl)-6-methoxyphenol
CID 16768128
3-(2-chlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83924215
2-[(1R)-1-aminobutyl]-6-methoxyphenol
CID 171212277
2-(3-amino-4-hydroxybutan-2-yl)-6-methoxyphenol
CID 83909620
2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol
CID 167458062
methyl (3S)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoate;hydrochloride
CID 171243705
3-(2,6-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83924924

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)-3-hydroxypropyl]-6-methoxyphenol?
The IUPAC name of 2-[1-(dimethylamino)-3-hydroxypropyl]-6-methoxyphenol (CID 83930616) is 2-[1-(dimethylamino)-3-hydroxypropyl]-6-methoxyphenol.
What is the SMILES notation for 2-[1-(dimethylamino)-3-hydroxypropyl]-6-methoxyphenol?
The canonical SMILES for 2-[1-(dimethylamino)-3-hydroxypropyl]-6-methoxyphenol is COc1cccc(C(CCO)N(C)C)c1O.
What is the InChIKey of 2-[1-(dimethylamino)-3-hydroxypropyl]-6-methoxyphenol?
The InChIKey is ZOGHDLBNSTWUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-13(2)10(7-8-14)9-5-4-6-11(16-3)12(9)15/h4-6,10,14-15H,7-8H2,1-3H3.
What are the key properties of 2-[1-(dimethylamino)-3-hydroxypropyl]-6-methoxyphenol?
2-[1-(dimethylamino)-3-hydroxypropyl]-6-methoxyphenol has a molecular weight of 225.29 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)-3-hydroxypropyl]-6-methoxyphenol is sourced from PubChem (CID 83930616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).