4-[2-(methylamino)propyl]benzene-1,3-diol

C10H15NO2 — CID 84732352

IUPAC4-[2-(methylamino)propyl]benzene-1,3-diol
SMILESCNC(C)Cc1ccc(O)cc1O
InChIInChI=1S/C10H15NO2/c1-7(11-2)5-8-3-4-9(12)6-10(8)13/h3-4,6-7,11-13H,5H2,1-2H3
InChIKeyVOKUWRTYEDXNQG-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.25
Rot. Bonds3

About 4-[2-(methylamino)propyl]benzene-1,3-diol

4-[2-(methylamino)propyl]benzene-1,3-diol (PubChem CID 84732352) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-[2-(methylamino)propyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-(methylamino)propyl]benzene-1,3-diol
PubChem CID84732352
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name4-[2-(methylamino)propyl]benzene-1,3-diol
SMILESCNC(C)Cc1ccc(O)cc1O
InChIInChI=1S/C10H15NO2/c1-7(11-2)5-8-3-4-9(12)6-10(8)13/h3-4,6-7,11-13H,5H2,1-2H3
InChIKeyVOKUWRTYEDXNQG-UHFFFAOYSA-N
XLogP1.25
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 172851102
CID 172851102
1-methyl-3-[2-(methylamino)propyl]indol-6-ol
CID 83917388
4-(2-aminobutyl)benzene-1,3-diol
CID 43565996
bis(4-[(2S)-2-(methylamino)propyl]phenol);sulfuric acid
CID 76968318
4-ethylbenzene-1,3-diol
CID 17927
4-(3-hydroxybutyl)benzene-1,3-diol
CID 71768563
4-(13-methyltetradecyl)benzene-1,3-diol
CID 10268006
4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzene-1,3-diol
CID 43695780
4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 154092442
[5-bromo-2-[2-(methylamino)propyl]phenyl]methanol
CID 84805928
4-[2-[2-(methylamino)propyl]phenyl]sulfanylphenol;hydrochloride
CID 3075844
4-[(heptan-2-ylamino)methyl]benzene-1,3-diol
CID 43572707

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)propyl]benzene-1,3-diol?
The IUPAC name of 4-[2-(methylamino)propyl]benzene-1,3-diol (CID 84732352) is 4-[2-(methylamino)propyl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-(methylamino)propyl]benzene-1,3-diol?
The canonical SMILES for 4-[2-(methylamino)propyl]benzene-1,3-diol is CNC(C)Cc1ccc(O)cc1O.
What is the InChIKey of 4-[2-(methylamino)propyl]benzene-1,3-diol?
The InChIKey is VOKUWRTYEDXNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(11-2)5-8-3-4-9(12)6-10(8)13/h3-4,6-7,11-13H,5H2,1-2H3.
What are the key properties of 4-[2-(methylamino)propyl]benzene-1,3-diol?
4-[2-(methylamino)propyl]benzene-1,3-diol has a molecular weight of 181.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)propyl]benzene-1,3-diol is sourced from PubChem (CID 84732352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).