[4-(dimethylamino)-3-methylphenyl] N,N-dimethylcarbamate;iodomethane

C13H21IN2O2 — CID 23622038

IUPAC[4-(dimethylamino)-3-methylphenyl] N,N-dimethylcarbamate;iodomethane
SMILESCI.Cc1cc(OC(=O)N(C)C)ccc1N(C)C
InChIInChI=1S/C12H18N2O2.CH3I/c1-9-8-10(16-12(15)14(4)5)6-7-11(9)13(2)3;1-2/h6-8H,1-5H3;1H3
InChIKeyXLNHYHINEXEBME-UHFFFAOYSA-N
MW364.23 g/mol
LogP3.17
Rot. Bonds2

About [4-(dimethylamino)-3-methylphenyl] N,N-dimethylcarbamate;iodomethane

[4-(dimethylamino)-3-methylphenyl] N,N-dimethylcarbamate;iodomethane (PubChem CID 23622038) has the molecular formula C13H21IN2O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is [4-(dimethylamino)-3-methylphenyl] N,N-dimethylcarbamate;iodomethane.

Molecular Properties

Compound Name[4-(dimethylamino)-3-methylphenyl] N,N-dimethylcarbamate;iodomethane
PubChem CID23622038
Molecular FormulaC13H21IN2O2
Molecular Weight364.23 g/mol
Exact Mass364.06
IUPAC Name[4-(dimethylamino)-3-methylphenyl] N,N-dimethylcarbamate;iodomethane
SMILESCI.Cc1cc(OC(=O)N(C)C)ccc1N(C)C
InChIInChI=1S/C12H18N2O2.CH3I/c1-9-8-10(16-12(15)14(4)5)6-7-11(9)13(2)3;1-2/h6-8H,1-5H3;1H3
InChIKeyXLNHYHINEXEBME-UHFFFAOYSA-N
XLogP3.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate
CID 23621926
[4-(dimethylamino)-3-methylphenyl] N-(trideuteriomethyl)carbamate
CID 169433790
[4-(dimethylamino)-3-heptylphenyl] N,N-dimethylcarbamate
CID 23621908
(6-bromonaphthalen-2-yl) N,N-dimethylcarbamate
CID 807327
(4-aminophenyl) N,N-dimethylcarbamate
CID 21427559
(4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate
CID 163320495
(4-amino-3-bromophenyl) N,N-dimethylcarbamate
CID 156649219
(1-methylindol-5-yl) N,N-dimethylcarbamate
CID 135084485
N-[4-(dimethylamino)-3-methylphenyl]-2-(4-iodophenoxy)acetamide
CID 55652450
quinolin-7-yl N,N-dimethylcarbamate
CID 11218314
[4-(dimethylamino)-3,5-dimethylphenyl] N-acetyl-N-methylcarbamate
CID 21115354
[3-acetyl-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
CID 11011847

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-3-methylphenyl] N,N-dimethylcarbamate;iodomethane?
The IUPAC name of [4-(dimethylamino)-3-methylphenyl] N,N-dimethylcarbamate;iodomethane (CID 23622038) is [4-(dimethylamino)-3-methylphenyl] N,N-dimethylcarbamate;iodomethane.
What is the SMILES notation for [4-(dimethylamino)-3-methylphenyl] N,N-dimethylcarbamate;iodomethane?
The canonical SMILES for [4-(dimethylamino)-3-methylphenyl] N,N-dimethylcarbamate;iodomethane is CI.Cc1cc(OC(=O)N(C)C)ccc1N(C)C.
What is the InChIKey of [4-(dimethylamino)-3-methylphenyl] N,N-dimethylcarbamate;iodomethane?
The InChIKey is XLNHYHINEXEBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.CH3I/c1-9-8-10(16-12(15)14(4)5)6-7-11(9)13(2)3;1-2/h6-8H,1-5H3;1H3.
What are the key properties of [4-(dimethylamino)-3-methylphenyl] N,N-dimethylcarbamate;iodomethane?
[4-(dimethylamino)-3-methylphenyl] N,N-dimethylcarbamate;iodomethane has a molecular weight of 364.23 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-3-methylphenyl] N,N-dimethylcarbamate;iodomethane is sourced from PubChem (CID 23622038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).