2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol

C13H19NO2 — CID 12032541

IUPAC2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol
SMILESC=CCc1cc(CN(C)C)c(O)c(OC)c1
InChIInChI=1S/C13H19NO2/c1-5-6-10-7-11(9-14(2)3)13(15)12(8-10)16-4/h5,7-8,15H,1,6,9H2,2-4H3
InChIKeyBATVMARAYVVQPV-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.19
Rot. Bonds5

About 2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol

2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol (PubChem CID 12032541) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol
PubChem CID12032541
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol
SMILESC=CCc1cc(CN(C)C)c(O)c(OC)c1
InChIInChI=1S/C13H19NO2/c1-5-6-10-7-11(9-14(2)3)13(15)12(8-10)16-4/h5,7-8,15H,1,6,9H2,2-4H3
InChIKeyBATVMARAYVVQPV-UHFFFAOYSA-N
XLogP2.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-6-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-4-prop-2-enylphenol
CID 25342863
2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride
CID 170893167
bis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc
CID 175804048
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
2-[(E)-3-(4-hydroxy-3-methoxyphenoxy)prop-2-enyl]-6-methoxy-4-prop-2-enylphenol
CID 25231264
2-[(dimethylamino)methyl]-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenol
CID 169384588
2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-methoxyphenol
CID 170864806
2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol
CID 158780722
propan-2-yl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate
CID 142663411
2-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-6-methoxy-4-prop-2-enylphenol
CID 9317037
2,4,6-tris[(dimethylamino)methyl]phenol
CID 7026
CID 69284850
CID 69284850

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol?
The IUPAC name of 2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol (CID 12032541) is 2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol?
The canonical SMILES for 2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol is C=CCc1cc(CN(C)C)c(O)c(OC)c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol?
The InChIKey is BATVMARAYVVQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-6-10-7-11(9-14(2)3)13(15)12(8-10)16-4/h5,7-8,15H,1,6,9H2,2-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol?
2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol has a molecular weight of 221.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol is sourced from PubChem (CID 12032541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).