2-ethoxy-6-[(3-iodoanilino)methyl]phenol

C15H16INO2 — CID 28977257

IUPAC2-ethoxy-6-[(3-iodoanilino)methyl]phenol
SMILESCCOc1cccc(CNc2cccc(I)c2)c1O
InChIInChI=1S/C15H16INO2/c1-2-19-14-8-3-5-11(15(14)18)10-17-13-7-4-6-12(16)9-13/h3-9,17-18H,2,10H2,1H3
InChIKeyPGSOBVWKWAJSFT-UHFFFAOYSA-N
MW369.20 g/mol
LogP4.01
Rot. Bonds5

About 2-ethoxy-6-[(3-iodoanilino)methyl]phenol

2-ethoxy-6-[(3-iodoanilino)methyl]phenol (PubChem CID 28977257) has the molecular formula C15H16INO2 and a molecular weight of 369.20 g/mol. Its IUPAC name is 2-ethoxy-6-[(3-iodoanilino)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[(3-iodoanilino)methyl]phenol
PubChem CID28977257
Molecular FormulaC15H16INO2
Molecular Weight369.20 g/mol
Exact Mass369.02
IUPAC Name2-ethoxy-6-[(3-iodoanilino)methyl]phenol
SMILESCCOc1cccc(CNc2cccc(I)c2)c1O
InChIInChI=1S/C15H16INO2/c1-2-19-14-8-3-5-11(15(14)18)10-17-13-7-4-6-12(16)9-13/h3-9,17-18H,2,10H2,1H3
InChIKeyPGSOBVWKWAJSFT-UHFFFAOYSA-N
XLogP4.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromo-5-methylanilino)methyl]-6-ethoxyphenol
CID 104938251
2-[(3,5-dichloro-4-fluoroanilino)methyl]-6-ethoxyphenol
CID 107572598
3-[(3-ethoxyanilino)methyl]benzene-1,2-diol
CID 61319719
2-fluoro-6-[(3-iodoanilino)methyl]phenol
CID 112606354
2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol
CID 107597220
2-ethoxy-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
CID 43534946
2-ethoxy-6-[[4-(trifluoromethoxy)anilino]methyl]phenol
CID 51047362
2-[(4-bromo-2,6-dimethylanilino)methyl]-6-ethoxyphenol
CID 60944433
N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline
CID 23793082
2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol
CID 115405717
2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol
CID 28967743
2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol
CID 65039266

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(3-iodoanilino)methyl]phenol?
The IUPAC name of 2-ethoxy-6-[(3-iodoanilino)methyl]phenol (CID 28977257) is 2-ethoxy-6-[(3-iodoanilino)methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[(3-iodoanilino)methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[(3-iodoanilino)methyl]phenol is CCOc1cccc(CNc2cccc(I)c2)c1O.
What is the InChIKey of 2-ethoxy-6-[(3-iodoanilino)methyl]phenol?
The InChIKey is PGSOBVWKWAJSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO2/c1-2-19-14-8-3-5-11(15(14)18)10-17-13-7-4-6-12(16)9-13/h3-9,17-18H,2,10H2,1H3.
What are the key properties of 2-ethoxy-6-[(3-iodoanilino)methyl]phenol?
2-ethoxy-6-[(3-iodoanilino)methyl]phenol has a molecular weight of 369.20 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(3-iodoanilino)methyl]phenol is sourced from PubChem (CID 28977257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).