4-methoxy-2-[[methyl(propyl)amino]methyl]phenol

C12H19NO2 — CID 82977818

IUPAC4-methoxy-2-[[methyl(propyl)amino]methyl]phenol
SMILESCCCN(C)Cc1cc(OC)ccc1O
InChIInChI=1S/C12H19NO2/c1-4-7-13(2)9-10-8-11(15-3)5-6-12(10)14/h5-6,8,14H,4,7,9H2,1-3H3
InChIKeyIYDWJSYOYNOEJC-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.24
Rot. Bonds5

About 4-methoxy-2-[[methyl(propyl)amino]methyl]phenol

4-methoxy-2-[[methyl(propyl)amino]methyl]phenol (PubChem CID 82977818) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-methoxy-2-[[methyl(propyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[methyl(propyl)amino]methyl]phenol
PubChem CID82977818
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-methoxy-2-[[methyl(propyl)amino]methyl]phenol
SMILESCCCN(C)Cc1cc(OC)ccc1O
InChIInChI=1S/C12H19NO2/c1-4-7-13(2)9-10-8-11(15-3)5-6-12(10)14/h5-6,8,14H,4,7,9H2,1-3H3
InChIKeyIYDWJSYOYNOEJC-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol
CID 82983680
2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol
CID 82979025
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977656
4-fluoro-2-[[methyl(propyl)amino]methyl]phenol
CID 103947518
2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenol
CID 14295123
4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978580
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol
CID 79668470
2-[ethyl-[(2-hydroxy-5-methoxyphenyl)methyl]amino]acetamide
CID 103104516
N'-[(2-amino-5-methoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 115414152
2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline
CID 115413765

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[methyl(propyl)amino]methyl]phenol?
The IUPAC name of 4-methoxy-2-[[methyl(propyl)amino]methyl]phenol (CID 82977818) is 4-methoxy-2-[[methyl(propyl)amino]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[methyl(propyl)amino]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[[methyl(propyl)amino]methyl]phenol is CCCN(C)Cc1cc(OC)ccc1O.
What is the InChIKey of 4-methoxy-2-[[methyl(propyl)amino]methyl]phenol?
The InChIKey is IYDWJSYOYNOEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-7-13(2)9-10-8-11(15-3)5-6-12(10)14/h5-6,8,14H,4,7,9H2,1-3H3.
What are the key properties of 4-methoxy-2-[[methyl(propyl)amino]methyl]phenol?
4-methoxy-2-[[methyl(propyl)amino]methyl]phenol has a molecular weight of 209.29 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[methyl(propyl)amino]methyl]phenol is sourced from PubChem (CID 82977818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).