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

C10H15NO2 — CID 14515291

IUPAC4-[3-(methylamino)propyl]benzene-1,2-diol
SMILESCNCCCc1ccc(O)c(O)c1
InChIInChI=1S/C10H15NO2/c1-11-6-2-3-8-4-5-9(12)10(13)7-8/h4-5,7,11-13H,2-3,6H2,1H3
InChIKeyVEPQOBRMGLTOBJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.25
Rot. Bonds4

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

4-[3-(methylamino)propyl]benzene-1,2-diol (PubChem CID 14515291) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-[3-(methylamino)propyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[3-(methylamino)propyl]benzene-1,2-diol
PubChem CID14515291
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name4-[3-(methylamino)propyl]benzene-1,2-diol
SMILESCNCCCc1ccc(O)c(O)c1
InChIInChI=1S/C10H15NO2/c1-11-6-2-3-8-4-5-9(12)10(13)7-8/h4-5,7,11-13H,2-3,6H2,1H3
InChIKeyVEPQOBRMGLTOBJ-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

2-methyl-5-[3-(methylamino)propyl]phenol
CID 83696087
fluoro-methyl-tritio-λ3-iodane;4-[2-(methylamino)ethyl]benzene-1,2-diol
CID 158050846
4-(methylaminomethyl)benzene-1,2-diol
CID 14515287
4-[2-(chloroamino)ethyl]benzene-1,2-diol;hydrate
CID 142760591
4-[4-(tert-butylamino)butyl]benzene-1,2-diol;hydrobromide
CID 71379239
ethane;4-(methylaminomethyl)benzene-1,2-diol
CID 142030506
4-(4-phenylbutyl)benzene-1,2-diol
CID 15135539
CID 174070763
CID 174070763
4-(10-phenyldecyl)benzene-1,2-diol
CID 14057488
4-[2-[(3,4-dihydroxyphenyl)methylamino]ethyl]benzene-1,2-diol
CID 3027257
3-(3,4-dihydroxyphenyl)-N-methylpropanamide
CID 15132211
ethane;2-fluoro-4-[2-(methylamino)ethyl]phenol
CID 155581862

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)propyl]benzene-1,2-diol?
The IUPAC name of 4-[3-(methylamino)propyl]benzene-1,2-diol (CID 14515291) is 4-[3-(methylamino)propyl]benzene-1,2-diol.
What is the SMILES notation for 4-[3-(methylamino)propyl]benzene-1,2-diol?
The canonical SMILES for 4-[3-(methylamino)propyl]benzene-1,2-diol is CNCCCc1ccc(O)c(O)c1.
What is the InChIKey of 4-[3-(methylamino)propyl]benzene-1,2-diol?
The InChIKey is VEPQOBRMGLTOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-11-6-2-3-8-4-5-9(12)10(13)7-8/h4-5,7,11-13H,2-3,6H2,1H3.
What are the key properties of 4-[3-(methylamino)propyl]benzene-1,2-diol?
4-[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 4-[3-(methylamino)propyl]benzene-1,2-diol is sourced from PubChem (CID 14515291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).