4-methoxy-3-[3-(methylamino)propyl]phenol

C11H17NO2 — CID 84733265

IUPAC4-methoxy-3-[3-(methylamino)propyl]phenol
SMILESCNCCCc1cc(O)ccc1OC
InChIInChI=1S/C11H17NO2/c1-12-7-3-4-9-8-10(13)5-6-11(9)14-2/h5-6,8,12-13H,3-4,7H2,1-2H3
InChIKeyVBOBLETWGYDRHZ-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.55
Rot. Bonds5

About 4-methoxy-3-[3-(methylamino)propyl]phenol

4-methoxy-3-[3-(methylamino)propyl]phenol (PubChem CID 84733265) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-methoxy-3-[3-(methylamino)propyl]phenol.

Molecular Properties

Compound Name4-methoxy-3-[3-(methylamino)propyl]phenol
PubChem CID84733265
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-methoxy-3-[3-(methylamino)propyl]phenol
SMILESCNCCCc1cc(O)ccc1OC
InChIInChI=1S/C11H17NO2/c1-12-7-3-4-9-8-10(13)5-6-11(9)14-2/h5-6,8,12-13H,3-4,7H2,1-2H3
InChIKeyVBOBLETWGYDRHZ-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methoxy-3-[3-(methylamino)propyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-3-(methylaminomethyl)phenol
CID 84731678
3-[(1-hydroxycyclopropyl)methyl]-4-methoxyphenol
CID 117284575
3-(2,3-dimethoxyphenyl)-N-methylpropan-1-amine
CID 54776109
1,4-dimethoxy-2-[3-(sulfinatoamino)propyl]benzene
CID 57145457
4-methoxy-3-(3-methylbut-2-enyl)phenol
CID 101027686
3-[3-(methylamino)propyl]-1-benzofuran-6-ol
CID 117196360
4-methoxy-3-[(5-methoxy-2-pyridinyl)methyl]phenol
CID 14333130
N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227129
3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine
CID 94683968
3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine
CID 116989176
3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 82782140
3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol
CID 67610904

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[3-(methylamino)propyl]phenol?
The IUPAC name of 4-methoxy-3-[3-(methylamino)propyl]phenol (CID 84733265) is 4-methoxy-3-[3-(methylamino)propyl]phenol.
What is the SMILES notation for 4-methoxy-3-[3-(methylamino)propyl]phenol?
The canonical SMILES for 4-methoxy-3-[3-(methylamino)propyl]phenol is CNCCCc1cc(O)ccc1OC.
What is the InChIKey of 4-methoxy-3-[3-(methylamino)propyl]phenol?
The InChIKey is VBOBLETWGYDRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12-7-3-4-9-8-10(13)5-6-11(9)14-2/h5-6,8,12-13H,3-4,7H2,1-2H3.
What are the key properties of 4-methoxy-3-[3-(methylamino)propyl]phenol?
4-methoxy-3-[3-(methylamino)propyl]phenol has a molecular weight of 195.26 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[3-(methylamino)propyl]phenol is sourced from PubChem (CID 84733265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).