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

C10H15NO2 — CID 84732350

IUPAC3-[3-(methylamino)propyl]benzene-1,2-diol
SMILESCNCCCc1cccc(O)c1O
InChIInChI=1S/C10H15NO2/c1-11-7-3-5-8-4-2-6-9(12)10(8)13/h2,4,6,11-13H,3,5,7H2,1H3
InChIKeySMEFENLXIFBVPX-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.25
Rot. Bonds4

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

3-[3-(methylamino)propyl]benzene-1,2-diol (PubChem CID 84732350) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-[3-(methylamino)propyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[3-(methylamino)propyl]benzene-1,2-diol
PubChem CID84732350
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name3-[3-(methylamino)propyl]benzene-1,2-diol
SMILESCNCCCc1cccc(O)c1O
InChIInChI=1S/C10H15NO2/c1-11-7-3-5-8-4-2-6-9(12)10(8)13/h2,4,6,11-13H,3,5,7H2,1H3
InChIKeySMEFENLXIFBVPX-UHFFFAOYSA-N
XLogP1.25
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorobutyl)benzene-1,2-diol
CID 68899588
3-(6-butoxyhexyl)benzene-1,2-diol
CID 154435441
3-(13-butoxytridecyl)benzene-1,2-diol
CID 154435829
N,2-dimethyl-6-[3-(methylamino)propyl]aniline
CID 143047575
3-(8,8-diiodooctyl)benzene-1,2-diol
CID 154435592
3-bromo-2-[3-(methylamino)propyl]phenol
CID 84737240
2-(methoxymethyl)-6-[2-(methylamino)ethyl]phenol
CID 83879381
3-(2,3-dimethoxyphenyl)-N-methylpropan-1-amine
CID 54776109
acetic acid;3-pentadecylbenzene-1,2-diol
CID 67779350
N-methyl-3-quinolin-8-ylpropan-1-amine
CID 70598005
3-(5-heptoxypentyl)benzene-1,2-diol
CID 154435375
3-(13-heptoxytridecyl)benzene-1,2-diol
CID 154435835

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylamino)propyl]benzene-1,2-diol?
The IUPAC name of 3-[3-(methylamino)propyl]benzene-1,2-diol (CID 84732350) is 3-[3-(methylamino)propyl]benzene-1,2-diol.
What is the SMILES notation for 3-[3-(methylamino)propyl]benzene-1,2-diol?
The canonical SMILES for 3-[3-(methylamino)propyl]benzene-1,2-diol is CNCCCc1cccc(O)c1O.
What is the InChIKey of 3-[3-(methylamino)propyl]benzene-1,2-diol?
The InChIKey is SMEFENLXIFBVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-11-7-3-5-8-4-2-6-9(12)10(8)13/h2,4,6,11-13H,3,5,7H2,1H3.
What are the key properties of 3-[3-(methylamino)propyl]benzene-1,2-diol?
3-[3-(methylamino)propyl]benzene-1,2-diol has a molecular weight of 181.24 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylamino)propyl]benzene-1,2-diol is sourced from PubChem (CID 84732350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).