[4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane

C11H17IN2O2 — CID 23618192

IUPAC[4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane
SMILESCI.CNC(=O)Oc1ccc(N(C)C)cc1
InChIInChI=1S/C10H14N2O2.CH3I/c1-11-10(13)14-9-6-4-8(5-7-9)12(2)3;1-2/h4-7H,1-3H3,(H,11,13);1H3
InChIKeyMLJRRLWWJCYAPS-UHFFFAOYSA-N
MW336.17 g/mol
LogP2.52
Rot. Bonds2

About [4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane

[4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane (PubChem CID 23618192) has the molecular formula C11H17IN2O2 and a molecular weight of 336.17 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane
PubChem CID23618192
Molecular FormulaC11H17IN2O2
Molecular Weight336.17 g/mol
Exact Mass336.03
IUPAC Name[4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane
SMILESCI.CNC(=O)Oc1ccc(N(C)C)cc1
InChIInChI=1S/C10H14N2O2.CH3I/c1-11-10(13)14-9-6-4-8(5-7-9)12(2)3;1-2/h4-7H,1-3H3,(H,11,13);1H3
InChIKeyMLJRRLWWJCYAPS-UHFFFAOYSA-N
XLogP2.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 52.52
H-Bond Donors ≤ 51
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

[4-(dimethylamino)phenyl] acetate
CID 586356
[4-[(dimethylamino)methyl]phenyl] N-methylcarbamate;hydrochloride
CID 138400728
[4-(difluoromethoxy)phenyl] N-methylcarbamate
CID 165349276
[2-chloro-5-(dimethylamino)phenyl] N-methylcarbamate;hydrochloride
CID 138400916
[4-(4-hydroxybenzoyl)phenyl] N-methylcarbamate
CID 117058910
[4-(carbamoylamino)phenyl] N-methylcarbamate
CID 134123032
[4-[3-(N-methylanilino)propoxy]phenyl] N-methylcarbamate
CID 169013825
diethyl-methyl-[4-(methylcarbamoyloxy)phenyl]phosphanium
CID 6332717
[(1S)-1-[4-(dimethylamino)phenyl]-2-(phenoxycarbonylamino)ethyl]-dimethylazanium
CID 7496155
2-[4-(dimethylamino)phenoxy]-2-oxoacetic acid;toluene
CID 173323339
[6-(dimethylamino)quinolin-4-yl] N-methylcarbamate
CID 139034930
[4-[[4-(dimethylamino)benzoyl]amino]phenyl] carbamate
CID 151717833

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane?
The IUPAC name of [4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane (CID 23618192) is [4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane.
What is the SMILES notation for [4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane?
The canonical SMILES for [4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane is CI.CNC(=O)Oc1ccc(N(C)C)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane?
The InChIKey is MLJRRLWWJCYAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.CH3I/c1-11-10(13)14-9-6-4-8(5-7-9)12(2)3;1-2/h4-7H,1-3H3,(H,11,13);1H3.
What are the key properties of [4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane?
[4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane has a molecular weight of 336.17 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane is sourced from PubChem (CID 23618192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).