2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol

C17H20INO3 — CID 10001761

IUPAC2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol
SMILESCOc1cc(CCNCc2ccccc2O)c(OC)cc1I
InChIInChI=1S/C17H20INO3/c1-21-16-10-14(18)17(22-2)9-12(16)7-8-19-11-13-5-3-4-6-15(13)20/h3-6,9-10,19-20H,7-8,11H2,1-2H3
InChIKeyFEUZHYRXGQTBRO-UHFFFAOYSA-N
MW413.26 g/mol
LogP3.35
Rot. Bonds7

About 2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol

2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol (PubChem CID 10001761) has the molecular formula C17H20INO3 and a molecular weight of 413.26 g/mol. Its IUPAC name is 2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol
PubChem CID10001761
Molecular FormulaC17H20INO3
Molecular Weight413.26 g/mol
Exact Mass413.05
IUPAC Name2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol
SMILESCOc1cc(CCNCc2ccccc2O)c(OC)cc1I
InChIInChI=1S/C17H20INO3/c1-21-16-10-14(18)17(22-2)9-12(16)7-8-19-11-13-5-3-4-6-15(13)20/h3-6,9-10,19-20H,7-8,11H2,1-2H3
InChIKeyFEUZHYRXGQTBRO-UHFFFAOYSA-N
XLogP3.35
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.26
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]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

2-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
CID 168972893
2-(4-chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 46856354
2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 165123651
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine
CID 162430094
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 121230760
2-[2,5-dimethoxy-4-(methylsulfonimidoyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine
CID 171797156
2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-(naphthalen-1-ylmethyl)ethanamine
CID 166130267
2-(2,5-dimethoxy-4-nitrophenyl)-N-[(2-phenylphenyl)methyl]ethanamine
CID 175819744
4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol
CID 45029997
4-methoxy-2-[(2-phenylethylamino)methyl]phenol
CID 28615660
N-[(2-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 2163807

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol?
The IUPAC name of 2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol (CID 10001761) is 2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol?
The canonical SMILES for 2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol is COc1cc(CCNCc2ccccc2O)c(OC)cc1I.
What is the InChIKey of 2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol?
The InChIKey is FEUZHYRXGQTBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20INO3/c1-21-16-10-14(18)17(22-2)9-12(16)7-8-19-11-13-5-3-4-6-15(13)20/h3-6,9-10,19-20H,7-8,11H2,1-2H3.
What are the key properties of 2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol?
2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol has a molecular weight of 413.26 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol is sourced from PubChem (CID 10001761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).