2-(2-iodo-3,4-dimethoxyphenyl)-N,N-dimethylethanamine

C12H18INO2 — CID 10640506

IUPAC2-(2-iodo-3,4-dimethoxyphenyl)-N,N-dimethylethanamine
SMILESCOc1ccc(CCN(C)C)c(I)c1OC
InChIInChI=1S/C12H18INO2/c1-14(2)8-7-9-5-6-10(15-3)12(16-4)11(9)13/h5-6H,7-8H2,1-4H3
InChIKeyUKOGLJBOOBVPGU-UHFFFAOYSA-N
MW335.19 g/mol
LogP2.41
Rot. Bonds5

About 2-(2-iodo-3,4-dimethoxyphenyl)-N,N-dimethylethanamine

2-(2-iodo-3,4-dimethoxyphenyl)-N,N-dimethylethanamine (PubChem CID 10640506) has the molecular formula C12H18INO2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-(2-iodo-3,4-dimethoxyphenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2-iodo-3,4-dimethoxyphenyl)-N,N-dimethylethanamine
PubChem CID10640506
Molecular FormulaC12H18INO2
Molecular Weight335.19 g/mol
Exact Mass335.04
IUPAC Name2-(2-iodo-3,4-dimethoxyphenyl)-N,N-dimethylethanamine
SMILESCOc1ccc(CCN(C)C)c(I)c1OC
InChIInChI=1S/C12H18INO2/c1-14(2)8-7-9-5-6-10(15-3)12(16-4)11(9)13/h5-6H,7-8H2,1-4H3
InChIKeyUKOGLJBOOBVPGU-UHFFFAOYSA-N
XLogP2.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]nitrous amide
CID 46930718
3-iodo-1,2-dimethoxy-4-methylbenzene
CID 131118438
2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine
CID 117043743
2-(5,6-dimethoxy-9,10-dihydrophenanthren-1-yl)-N,N-dimethylethanamine
CID 125482851
1-(fluoromethyl)-3-iodo-2,4-dimethoxybenzene
CID 130934965
2-(2,4-dimethoxy-3-methylphenyl)ethyl-methylcyanamide
CID 117043515
[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol
CID 115229495
trimethoxy-[3-(2,3,4-trimethoxyphenyl)propyl]silane
CID 174513383
N'-methyl-N'-propan-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 62635743
2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261302
2-[3-(dimethylamino)propyl]-3-iodo-6-methoxyphenol
CID 170865553
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine
CID 115226171

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodo-3,4-dimethoxyphenyl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2-iodo-3,4-dimethoxyphenyl)-N,N-dimethylethanamine (CID 10640506) is 2-(2-iodo-3,4-dimethoxyphenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2-iodo-3,4-dimethoxyphenyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2-iodo-3,4-dimethoxyphenyl)-N,N-dimethylethanamine is COc1ccc(CCN(C)C)c(I)c1OC.
What is the InChIKey of 2-(2-iodo-3,4-dimethoxyphenyl)-N,N-dimethylethanamine?
The InChIKey is UKOGLJBOOBVPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18INO2/c1-14(2)8-7-9-5-6-10(15-3)12(16-4)11(9)13/h5-6H,7-8H2,1-4H3.
What are the key properties of 2-(2-iodo-3,4-dimethoxyphenyl)-N,N-dimethylethanamine?
2-(2-iodo-3,4-dimethoxyphenyl)-N,N-dimethylethanamine has a molecular weight of 335.19 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodo-3,4-dimethoxyphenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 10640506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).