[2-chloro-5-(dimethylamino)phenyl] N-methylcarbamate;hydrochloride

C10H14Cl2N2O2 — CID 138400916

IUPAC[2-chloro-5-(dimethylamino)phenyl] N-methylcarbamate;hydrochloride
SMILESCNC(=O)Oc1cc(N(C)C)ccc1Cl.Cl
InChIInChI=1S/C10H13ClN2O2.ClH/c1-12-10(14)15-9-6-7(13(2)3)4-5-8(9)11;/h4-6H,1-3H3,(H,12,14);1H
InChIKeyMNPOKKCRDILHFA-UHFFFAOYSA-N
MW265.14 g/mol
LogP2.55
Rot. Bonds2

About [2-chloro-5-(dimethylamino)phenyl] N-methylcarbamate;hydrochloride

[2-chloro-5-(dimethylamino)phenyl] N-methylcarbamate;hydrochloride (PubChem CID 138400916) has the molecular formula C10H14Cl2N2O2 and a molecular weight of 265.14 g/mol. Its IUPAC name is [2-chloro-5-(dimethylamino)phenyl] N-methylcarbamate;hydrochloride.

Molecular Properties

Compound Name[2-chloro-5-(dimethylamino)phenyl] N-methylcarbamate;hydrochloride
PubChem CID138400916
Molecular FormulaC10H14Cl2N2O2
Molecular Weight265.14 g/mol
Exact Mass264.04
IUPAC Name[2-chloro-5-(dimethylamino)phenyl] N-methylcarbamate;hydrochloride
SMILESCNC(=O)Oc1cc(N(C)C)ccc1Cl.Cl
InChIInChI=1S/C10H13ClN2O2.ClH/c1-12-10(14)15-9-6-7(13(2)3)4-5-8(9)11;/h4-6H,1-3H3,(H,12,14);1H
InChIKeyMNPOKKCRDILHFA-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride
CID 172729732
[6-(dimethylamino)quinolin-4-yl] N-methylcarbamate
CID 139034930
[4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane
CID 23618192
(2,3-dichlorophenyl) N-methylcarbamate;hydrochloride
CID 141106897
[2-chloro-5-(3-methyl-2-oxoimidazol-1-yl)phenyl] N-methylcarbamate
CID 171984887
[2-[bis[4-(dimethylamino)phenyl]methyl]-5-(diethylamino)phenyl] N-methylcarbamate
CID 54257011
N-[2-chloro-5-(dimethylamino)phenyl]acetamide
CID 130011997
[2-[bis[4-(dibenzylamino)phenyl]methyl]-5-(dimethylamino)phenyl] N-methylcarbamate
CID 172723682
(2-chloro-4,5-dimethylphenyl) N-methylcarbamate;phenol
CID 21114999
methyl 4-chloro-3-(dimethylcarbamoyloxy)benzoate
CID 102226652
(2-amino-4-chloro-5-fluorophenyl) N-methylcarbamate
CID 164648951
(4-methyl-2-propan-2-ylphenyl) N-methylcarbamate
CID 12953311

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(dimethylamino)phenyl] N-methylcarbamate;hydrochloride?
The IUPAC name of [2-chloro-5-(dimethylamino)phenyl] N-methylcarbamate;hydrochloride (CID 138400916) is [2-chloro-5-(dimethylamino)phenyl] N-methylcarbamate;hydrochloride.
What is the SMILES notation for [2-chloro-5-(dimethylamino)phenyl] N-methylcarbamate;hydrochloride?
The canonical SMILES for [2-chloro-5-(dimethylamino)phenyl] N-methylcarbamate;hydrochloride is CNC(=O)Oc1cc(N(C)C)ccc1Cl.Cl.
What is the InChIKey of [2-chloro-5-(dimethylamino)phenyl] N-methylcarbamate;hydrochloride?
The InChIKey is MNPOKKCRDILHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2.ClH/c1-12-10(14)15-9-6-7(13(2)3)4-5-8(9)11;/h4-6H,1-3H3,(H,12,14);1H.
What are the key properties of [2-chloro-5-(dimethylamino)phenyl] N-methylcarbamate;hydrochloride?
[2-chloro-5-(dimethylamino)phenyl] N-methylcarbamate;hydrochloride has a molecular weight of 265.14 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(dimethylamino)phenyl] N-methylcarbamate;hydrochloride is sourced from PubChem (CID 138400916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).