2-[3-(dimethylamino)propyl]-3-iodo-6-methoxyphenol

C12H18INO2 — CID 170865553

IUPAC2-[3-(dimethylamino)propyl]-3-iodo-6-methoxyphenol
SMILESCOc1ccc(I)c(CCCN(C)C)c1O
InChIInChI=1S/C12H18INO2/c1-14(2)8-4-5-9-10(13)6-7-11(16-3)12(9)15/h6-7,15H,4-5,8H2,1-3H3
InChIKeyGTQXBJJMVPDQBU-UHFFFAOYSA-N
MW335.19 g/mol
LogP2.50
Rot. Bonds5

About 2-[3-(dimethylamino)propyl]-3-iodo-6-methoxyphenol

2-[3-(dimethylamino)propyl]-3-iodo-6-methoxyphenol (PubChem CID 170865553) has the molecular formula C12H18INO2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-3-iodo-6-methoxyphenol.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-3-iodo-6-methoxyphenol
PubChem CID170865553
Molecular FormulaC12H18INO2
Molecular Weight335.19 g/mol
Exact Mass335.04
IUPAC Name2-[3-(dimethylamino)propyl]-3-iodo-6-methoxyphenol
SMILESCOc1ccc(I)c(CCCN(C)C)c1O
InChIInChI=1S/C12H18INO2/c1-14(2)8-4-5-9-10(13)6-7-11(16-3)12(9)15/h6-7,15H,4-5,8H2,1-3H3
InChIKeyGTQXBJJMVPDQBU-UHFFFAOYSA-N
XLogP2.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminopropyl)-3-iodo-6-methoxyphenol
CID 170867530
3-bromo-2-[3-(dimethylamino)propyl]-6-methoxyphenol
CID 170865361
4-[3-(dimethylamino)propyl]-2-iodo-6-methoxyphenol
CID 170865187
2-[3-(dimethylamino)propyl]-3,6-dimethoxyaniline
CID 170865977
3-(2-methoxynaphthalen-1-yl)-N,N-dimethylpropan-1-amine
CID 170865305
6-methoxy-3-methyl-2-propylphenol
CID 170766303
3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865219
4-[3-(dimethylamino)propyl]-3-methoxyphenol
CID 170865239
2-[3-(dimethylamino)propyl]-4-hydroxy-3,5-dimethoxybenzoic acid
CID 170549339
3-iodo-4-methoxy-N,N-dimethylaniline
CID 131552436
5-[3-(dimethylamino)propyl]benzene-1,2,3-triol
CID 170865399
2-(2-iodo-3,4-dimethoxyphenyl)-N,N-dimethylethanamine
CID 10640506

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-3-iodo-6-methoxyphenol?
The IUPAC name of 2-[3-(dimethylamino)propyl]-3-iodo-6-methoxyphenol (CID 170865553) is 2-[3-(dimethylamino)propyl]-3-iodo-6-methoxyphenol.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-3-iodo-6-methoxyphenol?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-3-iodo-6-methoxyphenol is COc1ccc(I)c(CCCN(C)C)c1O.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-3-iodo-6-methoxyphenol?
The InChIKey is GTQXBJJMVPDQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18INO2/c1-14(2)8-4-5-9-10(13)6-7-11(16-3)12(9)15/h6-7,15H,4-5,8H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)propyl]-3-iodo-6-methoxyphenol?
2-[3-(dimethylamino)propyl]-3-iodo-6-methoxyphenol has a molecular weight of 335.19 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]-3-iodo-6-methoxyphenol is sourced from PubChem (CID 170865553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).