2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]phenol

C13H19NO2 — CID 115629089

IUPAC2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]phenol
SMILESC/C=C/CCNCc1ccc(OC)c(O)c1
InChIInChI=1S/C13H19NO2/c1-3-4-5-8-14-10-11-6-7-13(16-2)12(15)9-11/h3-4,6-7,9,14-15H,5,8,10H2,1-2H3/b4-3+
InChIKeyJZIAGRQSKBGHNT-ONEGZZNKSA-N
MW221.30 g/mol
LogP2.46
Rot. Bonds6

About 2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]phenol

2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]phenol (PubChem CID 115629089) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]phenol
PubChem CID115629089
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]phenol
SMILESC/C=C/CCNCc1ccc(OC)c(O)c1
InChIInChI=1S/C13H19NO2/c1-3-4-5-8-14-10-11-6-7-13(16-2)12(15)9-11/h3-4,6-7,9,14-15H,5,8,10H2,1-2H3/b4-3+
InChIKeyJZIAGRQSKBGHNT-ONEGZZNKSA-N
XLogP2.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]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

(E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115629151
(E)-N-[(3,4,5-trimethoxyphenyl)methyl]pent-3-en-1-amine
CID 115629149
N'-hydroxy-2-methoxy-4-[[[(E)-pent-3-enyl]amino]methyl]benzenecarboximidamide
CID 106789997
(E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115629053
(E)-N-[(3,5-dimethoxyphenyl)methyl]pent-3-en-1-amine
CID 115628979
(E)-N-[(5-bromo-2-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115629087
5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol
CID 113340286
5-[(2-ethylbutylamino)methyl]-2-methoxyphenol
CID 83295597
5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol
CID 111421897
5-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-2-methoxyphenol
CID 63315050
(E)-N-[(3,5-dibromo-4-methoxyphenyl)methyl]pent-3-en-1-amine
CID 113236618
2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol
CID 103735804

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]phenol?
The IUPAC name of 2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]phenol (CID 115629089) is 2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]phenol is C/C=C/CCNCc1ccc(OC)c(O)c1.
What is the InChIKey of 2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]phenol?
The InChIKey is JZIAGRQSKBGHNT-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-4-5-8-14-10-11-6-7-13(16-2)12(15)9-11/h3-4,6-7,9,14-15H,5,8,10H2,1-2H3/b4-3+.
What are the key properties of 2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]phenol?
2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]phenol has a molecular weight of 221.30 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]phenol is sourced from PubChem (CID 115629089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).