5-methoxy-2-[phenyl-(prop-2-enylamino)methyl]phenol

C17H19NO2 — CID 43189582

IUPAC5-methoxy-2-[phenyl-(prop-2-enylamino)methyl]phenol
SMILESC=CCNC(c1ccccc1)c1ccc(OC)cc1O
InChIInChI=1S/C17H19NO2/c1-3-11-18-17(13-7-5-4-6-8-13)15-10-9-14(20-2)12-16(15)19/h3-10,12,17-19H,1,11H2,2H3
InChIKeyTXSZRTIPIAKMHO-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.27
Rot. Bonds6

About 5-methoxy-2-[phenyl-(prop-2-enylamino)methyl]phenol

5-methoxy-2-[phenyl-(prop-2-enylamino)methyl]phenol (PubChem CID 43189582) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 5-methoxy-2-[phenyl-(prop-2-enylamino)methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[phenyl-(prop-2-enylamino)methyl]phenol
PubChem CID43189582
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name5-methoxy-2-[phenyl-(prop-2-enylamino)methyl]phenol
SMILESC=CCNC(c1ccccc1)c1ccc(OC)cc1O
InChIInChI=1S/C17H19NO2/c1-3-11-18-17(13-7-5-4-6-8-13)15-10-9-14(20-2)12-16(15)19/h3-10,12,17-19H,1,11H2,2H3
InChIKeyTXSZRTIPIAKMHO-UHFFFAOYSA-N
XLogP3.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-[phenyl-(prop-2-enylamino)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

5-methoxy-2-[phenyl(propylamino)methyl]phenol
CID 24705349
5-methoxy-2-(1-phenylbut-3-enyl)phenol
CID 53381202
2-[(3-aminopropylamino)-phenylmethyl]-5-methoxyphenol
CID 60889877
5-methoxy-2-[(pentylamino)-phenylmethyl]phenol
CID 43824880
5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 81350522
5-methoxy-2-[1-(1-phenylethylamino)ethyl]phenol
CID 43200586
2-[benzenesulfonyl(phenyl)methyl]-5-methoxyphenol
CID 132917189
methyl 2-phenyl-2-(prop-2-enylamino)acetate
CID 21300031
1-(2,4-dimethoxyphenyl)-N-prop-2-enylethane-1,2-diamine
CID 65382605
4-hydroxy-4-(4-methoxy-2-methylphenyl)-3-(prop-2-enylamino)butanoic acid
CID 82349829
5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol
CID 63012949
2-(2,4-dimethoxyphenyl)-2-(prop-2-enylamino)acetonitrile
CID 62355470

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[phenyl-(prop-2-enylamino)methyl]phenol?
The IUPAC name of 5-methoxy-2-[phenyl-(prop-2-enylamino)methyl]phenol (CID 43189582) is 5-methoxy-2-[phenyl-(prop-2-enylamino)methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[phenyl-(prop-2-enylamino)methyl]phenol?
The canonical SMILES for 5-methoxy-2-[phenyl-(prop-2-enylamino)methyl]phenol is C=CCNC(c1ccccc1)c1ccc(OC)cc1O.
What is the InChIKey of 5-methoxy-2-[phenyl-(prop-2-enylamino)methyl]phenol?
The InChIKey is TXSZRTIPIAKMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-11-18-17(13-7-5-4-6-8-13)15-10-9-14(20-2)12-16(15)19/h3-10,12,17-19H,1,11H2,2H3.
What are the key properties of 5-methoxy-2-[phenyl-(prop-2-enylamino)methyl]phenol?
5-methoxy-2-[phenyl-(prop-2-enylamino)methyl]phenol has a molecular weight of 269.34 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[phenyl-(prop-2-enylamino)methyl]phenol is sourced from PubChem (CID 43189582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).