2-[3-(dimethylamino)propyl]-5-methoxyphenol

C12H19NO2 — CID 170865157

IUPAC2-[3-(dimethylamino)propyl]-5-methoxyphenol
SMILESCOc1ccc(CCCN(C)C)c(O)c1
InChIInChI=1S/C12H19NO2/c1-13(2)8-4-5-10-6-7-11(15-3)9-12(10)14/h6-7,9,14H,4-5,8H2,1-3H3
InChIKeyOQPPOIMOHQHENJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.89
Rot. Bonds5

About 2-[3-(dimethylamino)propyl]-5-methoxyphenol

2-[3-(dimethylamino)propyl]-5-methoxyphenol (PubChem CID 170865157) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-5-methoxyphenol
PubChem CID170865157
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[3-(dimethylamino)propyl]-5-methoxyphenol
SMILESCOc1ccc(CCCN(C)C)c(O)c1
InChIInChI=1S/C12H19NO2/c1-13(2)8-4-5-10-6-7-11(15-3)9-12(10)14/h6-7,9,14H,4-5,8H2,1-3H3
InChIKeyOQPPOIMOHQHENJ-UHFFFAOYSA-N
XLogP1.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640
4-[3-(dimethylamino)propyl]-3-methoxyphenol
CID 170865239
2-[3-(dimethylamino)propyl]-5-fluorophenol
CID 170865708
5-methoxy-2-propylphenol
CID 12836519
2-(4,4-dimethylpentyl)-5-methoxyphenol
CID 146337312
5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978581
2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenol
CID 14295123
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
5-methoxy-2-[(N,3,5-trimethylanilino)methyl]phenol
CID 82978542
2-(aminomethyl)-5-methoxyphenol;ethane
CID 154662698
5-methoxy-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221300
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-5-methoxyphenol?
The IUPAC name of 2-[3-(dimethylamino)propyl]-5-methoxyphenol (CID 170865157) is 2-[3-(dimethylamino)propyl]-5-methoxyphenol.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-5-methoxyphenol?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-5-methoxyphenol is COc1ccc(CCCN(C)C)c(O)c1.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-5-methoxyphenol?
The InChIKey is OQPPOIMOHQHENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-13(2)8-4-5-10-6-7-11(15-3)9-12(10)14/h6-7,9,14H,4-5,8H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)propyl]-5-methoxyphenol?
2-[3-(dimethylamino)propyl]-5-methoxyphenol has a molecular weight of 209.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]-5-methoxyphenol is sourced from PubChem (CID 170865157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).