3-iodo-2,6-dimethoxy-N,N-dimethylaniline

C10H14INO2 — CID 174519773

IUPAC3-iodo-2,6-dimethoxy-N,N-dimethylaniline
SMILESCOc1ccc(I)c(OC)c1N(C)C
InChIInChI=1S/C10H14INO2/c1-12(2)9-8(13-3)6-5-7(11)10(9)14-4/h5-6H,1-4H3
InChIKeyQBZUVURDNBGCDJ-UHFFFAOYSA-N
MW307.13 g/mol
LogP2.37
Rot. Bonds3

About 3-iodo-2,6-dimethoxy-N,N-dimethylaniline

3-iodo-2,6-dimethoxy-N,N-dimethylaniline (PubChem CID 174519773) has the molecular formula C10H14INO2 and a molecular weight of 307.13 g/mol. Its IUPAC name is 3-iodo-2,6-dimethoxy-N,N-dimethylaniline.

Molecular Properties

Compound Name3-iodo-2,6-dimethoxy-N,N-dimethylaniline
PubChem CID174519773
Molecular FormulaC10H14INO2
Molecular Weight307.13 g/mol
Exact Mass307.01
IUPAC Name3-iodo-2,6-dimethoxy-N,N-dimethylaniline
SMILESCOc1ccc(I)c(OC)c1N(C)C
InChIInChI=1S/C10H14INO2/c1-12(2)9-8(13-3)6-5-7(11)10(9)14-4/h5-6H,1-4H3
InChIKeyQBZUVURDNBGCDJ-UHFFFAOYSA-N
XLogP2.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 52.37
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

3-ethoxy-1-iodo-2,4-dimethoxybenzene
CID 118835970
3-iodo-2,6-dimethoxybenzoic acid
CID 13493770
1,5-diiodo-4,8-dimethoxynaphthalene
CID 11236006
3-iodo-4-methoxy-N,N-dimethylaniline
CID 131552436
3-iodo-1,2-dimethoxy-4-methylbenzene
CID 131118438
1,3-diiodo-2-methoxybenzene
CID 12610037
2-(difluoromethyl)-1-iodo-3,4-dimethoxybenzene
CID 119023099
3-bromo-1-iodo-2-methoxy-4-methylbenzene
CID 171033325
2,3-diiodo-1,4-dimethoxybenzene
CID 11653980
sodium 6-iodo-2,3-dimethoxybenzoate
CID 24721325
7-iodo-4-methoxy-1-benzofuran
CID 166610141
2-(2-iodo-3,4-dimethoxyphenyl)-N,N-dimethylethanamine
CID 10640506

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2,6-dimethoxy-N,N-dimethylaniline?
The IUPAC name of 3-iodo-2,6-dimethoxy-N,N-dimethylaniline (CID 174519773) is 3-iodo-2,6-dimethoxy-N,N-dimethylaniline.
What is the SMILES notation for 3-iodo-2,6-dimethoxy-N,N-dimethylaniline?
The canonical SMILES for 3-iodo-2,6-dimethoxy-N,N-dimethylaniline is COc1ccc(I)c(OC)c1N(C)C.
What is the InChIKey of 3-iodo-2,6-dimethoxy-N,N-dimethylaniline?
The InChIKey is QBZUVURDNBGCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO2/c1-12(2)9-8(13-3)6-5-7(11)10(9)14-4/h5-6H,1-4H3.
What are the key properties of 3-iodo-2,6-dimethoxy-N,N-dimethylaniline?
3-iodo-2,6-dimethoxy-N,N-dimethylaniline has a molecular weight of 307.13 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2,6-dimethoxy-N,N-dimethylaniline is sourced from PubChem (CID 174519773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).