N-iodo-2-methoxy-N-methylaniline

C8H10INO — CID 153134478

IUPACN-iodo-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)I
InChIInChI=1S/C8H10INO/c1-10(9)7-5-3-4-6-8(7)11-2/h3-6H,1-2H3
InChIKeyVXJYWWPJIJPTOG-UHFFFAOYSA-N
MW263.08 g/mol
LogP2.48
Rot. Bonds2

About N-iodo-2-methoxy-N-methylaniline

N-iodo-2-methoxy-N-methylaniline (PubChem CID 153134478) has the molecular formula C8H10INO and a molecular weight of 263.08 g/mol. Its IUPAC name is N-iodo-2-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-iodo-2-methoxy-N-methylaniline
PubChem CID153134478
Molecular FormulaC8H10INO
Molecular Weight263.08 g/mol
Exact Mass262.98
IUPAC NameN-iodo-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)I
InChIInChI=1S/C8H10INO/c1-10(9)7-5-3-4-6-8(7)11-2/h3-6H,1-2H3
InChIKeyVXJYWWPJIJPTOG-UHFFFAOYSA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-iodo-2-methoxy-N-methylaniline 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

N-(2-methoxyphenyl)-N-methylformamide
CID 12838509
N-[amino(methyl)amino]-N-(2-methoxyphenyl)methanethioamide
CID 173278846
2-methoxy-N-methyl-N-propylaniline
CID 23198488
N-(2-methoxyphenyl)-N-methylmethanesulfonamide
CID 61061885
N,N-bis(2-methoxyphenyl)methanimidamide
CID 53437202
N-cyclobutyl-2-methoxy-N-methylaniline
CID 142063552
N-(hydrazinylmethyl)-2-methoxy-N-methylaniline
CID 115260697
azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
1-(dimethylamino)-1-(2-methoxyphenyl)urea
CID 67588036
2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine
CID 62483741
2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine
CID 76944433

Frequently Asked Questions

What is the IUPAC name of N-iodo-2-methoxy-N-methylaniline?
The IUPAC name of N-iodo-2-methoxy-N-methylaniline (CID 153134478) is N-iodo-2-methoxy-N-methylaniline.
What is the SMILES notation for N-iodo-2-methoxy-N-methylaniline?
The canonical SMILES for N-iodo-2-methoxy-N-methylaniline is COc1ccccc1N(C)I.
What is the InChIKey of N-iodo-2-methoxy-N-methylaniline?
The InChIKey is VXJYWWPJIJPTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INO/c1-10(9)7-5-3-4-6-8(7)11-2/h3-6H,1-2H3.
What are the key properties of N-iodo-2-methoxy-N-methylaniline?
N-iodo-2-methoxy-N-methylaniline has a molecular weight of 263.08 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-2-methoxy-N-methylaniline is sourced from PubChem (CID 153134478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).