methyl-[4-(methylcarbamoyloxymethyl)anilino]chloranium

C10H14ClN2O2+ — CID 143747920

IUPACmethyl-[4-(methylcarbamoyloxymethyl)anilino]chloranium
SMILESCNC(=O)OCc1ccc(N[Cl+]C)cc1
InChIInChI=1S/C10H13ClN2O2/c1-11-13-9-5-3-8(4-6-9)7-15-10(14)12-2/h3-6,13H,7H2,1-2H3/p+1
InChIKeyVHSZYDXJZJLKBC-UHFFFAOYSA-O
MW229.69 g/mol
LogP1.58
Rot. Bonds4

About methyl-[4-(methylcarbamoyloxymethyl)anilino]chloranium

methyl-[4-(methylcarbamoyloxymethyl)anilino]chloranium (PubChem CID 143747920) has the molecular formula C10H14ClN2O2+ and a molecular weight of 229.69 g/mol. Its IUPAC name is methyl-[4-(methylcarbamoyloxymethyl)anilino]chloranium.

Molecular Properties

Compound Namemethyl-[4-(methylcarbamoyloxymethyl)anilino]chloranium
PubChem CID143747920
Molecular FormulaC10H14ClN2O2+
Molecular Weight229.69 g/mol
Exact Mass229.07
IUPAC Namemethyl-[4-(methylcarbamoyloxymethyl)anilino]chloranium
SMILESCNC(=O)OCc1ccc(N[Cl+]C)cc1
InChIInChI=1S/C10H13ClN2O2/c1-11-13-9-5-3-8(4-6-9)7-15-10(14)12-2/h3-6,13H,7H2,1-2H3/p+1
InChIKeyVHSZYDXJZJLKBC-UHFFFAOYSA-O
XLogP1.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(chloroamino)phenyl]methyl N-methylcarbamate
CID 139307114
[4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl N-methylcarbamate
CID 166675608
furan-3-ylmethyl N-methylcarbamate
CID 57025329
ethane;[4-(methylamino)phenyl]methyl N-[2-(methylamino)-2-oxoethyl]carbamate
CID 142474647
[4-[[(2S)-5-(carbamoylamino)-2-methylpentanoyl]amino]phenyl]methyl N-methylcarbamate
CID 139354555
[4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate
CID 144618323
(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate
CID 22745182
[3-(methylcarbamoylamino)phenyl]methyl N-methylcarbamate
CID 134123018
[4-[[4-(methylamino)phenyl]methoxycarbonylamino]phenyl]methyl formate
CID 130458380
(4-acetamidophenyl)methyl N-tert-butylcarbamate
CID 155455042
(4-methylphenyl)methyl N-aminocarbamate
CID 13494891
(4-hydrazinylphenyl)methyl acetate
CID 123892480

Frequently Asked Questions

What is the IUPAC name of methyl-[4-(methylcarbamoyloxymethyl)anilino]chloranium?
The IUPAC name of methyl-[4-(methylcarbamoyloxymethyl)anilino]chloranium (CID 143747920) is methyl-[4-(methylcarbamoyloxymethyl)anilino]chloranium.
What is the SMILES notation for methyl-[4-(methylcarbamoyloxymethyl)anilino]chloranium?
The canonical SMILES for methyl-[4-(methylcarbamoyloxymethyl)anilino]chloranium is CNC(=O)OCc1ccc(N[Cl+]C)cc1.
What is the InChIKey of methyl-[4-(methylcarbamoyloxymethyl)anilino]chloranium?
The InChIKey is VHSZYDXJZJLKBC-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13ClN2O2/c1-11-13-9-5-3-8(4-6-9)7-15-10(14)12-2/h3-6,13H,7H2,1-2H3/p+1.
What are the key properties of methyl-[4-(methylcarbamoyloxymethyl)anilino]chloranium?
methyl-[4-(methylcarbamoyloxymethyl)anilino]chloranium has a molecular weight of 229.69 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-(methylcarbamoyloxymethyl)anilino]chloranium is sourced from PubChem (CID 143747920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).