2-[(3-ethylhex-5-enylamino)methyl]-5-methoxyphenol

C16H25NO2 — CID 134232650

IUPAC2-[(3-ethylhex-5-enylamino)methyl]-5-methoxyphenol
SMILESC=CCC(CC)CCNCc1ccc(OC)cc1O
InChIInChI=1S/C16H25NO2/c1-4-6-13(5-2)9-10-17-12-14-7-8-15(19-3)11-16(14)18/h4,7-8,11,13,17-18H,1,5-6,9-10,12H2,2-3H3
InChIKeyVLPXRVIQOQOKNZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.48
Rot. Bonds9

About 2-[(3-ethylhex-5-enylamino)methyl]-5-methoxyphenol

2-[(3-ethylhex-5-enylamino)methyl]-5-methoxyphenol (PubChem CID 134232650) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(3-ethylhex-5-enylamino)methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[(3-ethylhex-5-enylamino)methyl]-5-methoxyphenol
PubChem CID134232650
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[(3-ethylhex-5-enylamino)methyl]-5-methoxyphenol
SMILESC=CCC(CC)CCNCc1ccc(OC)cc1O
InChIInChI=1S/C16H25NO2/c1-4-6-13(5-2)9-10-17-12-14-7-8-15(19-3)11-16(14)18/h4,7-8,11,13,17-18H,1,5-6,9-10,12H2,2-3H3
InChIKeyVLPXRVIQOQOKNZ-UHFFFAOYSA-N
XLogP3.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.48
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'}

Analyze 2-[(3-ethylhex-5-enylamino)methyl]-5-methoxyphenol 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

3-ethyl-N-[(6-methoxy-1-benzothiophen-2-yl)methyl]hex-5-en-1-amine
CID 134232787
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
4-[(3-ethylhex-5-enylamino)methyl]benzene-1,2-diol
CID 134232488
5-methoxy-2-[(4-methylpentylamino)methyl]phenol
CID 61263266
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
2-[(4-hydroxypentylamino)methyl]-5-methoxyphenol
CID 107267668
2-[(4-hydroxybutylamino)methyl]-5-methoxyphenol
CID 106840604
5-methoxy-2-[(3-methylsulfonylpropylamino)methyl]phenol
CID 61262890
5-methoxy-2-prop-2-enylphenol
CID 6424515
2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol
CID 61268747
2-[(2-ethoxypropylamino)methyl]-5-methoxyphenol
CID 115655741
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylhex-5-enylamino)methyl]-5-methoxyphenol?
The IUPAC name of 2-[(3-ethylhex-5-enylamino)methyl]-5-methoxyphenol (CID 134232650) is 2-[(3-ethylhex-5-enylamino)methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[(3-ethylhex-5-enylamino)methyl]-5-methoxyphenol?
The canonical SMILES for 2-[(3-ethylhex-5-enylamino)methyl]-5-methoxyphenol is C=CCC(CC)CCNCc1ccc(OC)cc1O.
What is the InChIKey of 2-[(3-ethylhex-5-enylamino)methyl]-5-methoxyphenol?
The InChIKey is VLPXRVIQOQOKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-6-13(5-2)9-10-17-12-14-7-8-15(19-3)11-16(14)18/h4,7-8,11,13,17-18H,1,5-6,9-10,12H2,2-3H3.
What are the key properties of 2-[(3-ethylhex-5-enylamino)methyl]-5-methoxyphenol?
2-[(3-ethylhex-5-enylamino)methyl]-5-methoxyphenol has a molecular weight of 263.38 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylhex-5-enylamino)methyl]-5-methoxyphenol is sourced from PubChem (CID 134232650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).