2-[(2-but-3-enoxyethylamino)methyl]-6-methylphenol

C14H21NO2 — CID 103923895

IUPAC2-[(2-but-3-enoxyethylamino)methyl]-6-methylphenol
SMILESC=CCCOCCNCc1cccc(C)c1O
InChIInChI=1S/C14H21NO2/c1-3-4-9-17-10-8-15-11-13-7-5-6-12(2)14(13)16/h3,5-7,15-16H,1,4,8-11H2,2H3
InChIKeyJMJUBDQNDWRPOO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.38
Rot. Bonds8

About 2-[(2-but-3-enoxyethylamino)methyl]-6-methylphenol

2-[(2-but-3-enoxyethylamino)methyl]-6-methylphenol (PubChem CID 103923895) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(2-but-3-enoxyethylamino)methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[(2-but-3-enoxyethylamino)methyl]-6-methylphenol
PubChem CID103923895
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(2-but-3-enoxyethylamino)methyl]-6-methylphenol
SMILESC=CCCOCCNCc1cccc(C)c1O
InChIInChI=1S/C14H21NO2/c1-3-4-9-17-10-8-15-11-13-7-5-6-12(2)14(13)16/h3,5-7,15-16H,1,4,8-11H2,2H3
InChIKeyJMJUBDQNDWRPOO-UHFFFAOYSA-N
XLogP2.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[(2-prop-2-enylsulfanylethylamino)methyl]phenol
CID 115907019
2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 112553913
2-(butylaminomethyl)-6-methylphenol
CID 82669937
3-[(2-but-3-enoxyethylamino)methyl]-2-fluorobenzonitrile
CID 106401470
2-but-3-enoxy-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 113339105
3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzene-1,2-diol
CID 113357946
2-but-3-enoxy-N-[(3-chloro-4-methylphenyl)methyl]ethanamine
CID 106833860
3-[(2-hydroxy-3-methylphenyl)methylamino]propanoic acid
CID 112606379
2-but-3-enoxy-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 103854363
2-[2-[(2-but-3-enoxyethylamino)methyl]phenoxy]acetonitrile
CID 106397256
2-but-3-enoxy-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 103578738
2-but-3-enoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine
CID 106397577

Frequently Asked Questions

What is the IUPAC name of 2-[(2-but-3-enoxyethylamino)methyl]-6-methylphenol?
The IUPAC name of 2-[(2-but-3-enoxyethylamino)methyl]-6-methylphenol (CID 103923895) is 2-[(2-but-3-enoxyethylamino)methyl]-6-methylphenol.
What is the SMILES notation for 2-[(2-but-3-enoxyethylamino)methyl]-6-methylphenol?
The canonical SMILES for 2-[(2-but-3-enoxyethylamino)methyl]-6-methylphenol is C=CCCOCCNCc1cccc(C)c1O.
What is the InChIKey of 2-[(2-but-3-enoxyethylamino)methyl]-6-methylphenol?
The InChIKey is JMJUBDQNDWRPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-4-9-17-10-8-15-11-13-7-5-6-12(2)14(13)16/h3,5-7,15-16H,1,4,8-11H2,2H3.
What are the key properties of 2-[(2-but-3-enoxyethylamino)methyl]-6-methylphenol?
2-[(2-but-3-enoxyethylamino)methyl]-6-methylphenol has a molecular weight of 235.33 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-but-3-enoxyethylamino)methyl]-6-methylphenol is sourced from PubChem (CID 103923895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).