methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate

C10H13ClN2O2 — CID 43551425

IUPACmethyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1cc(N)ccc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-13(10(14)15-2)6-7-5-8(12)3-4-9(7)11/h3-5H,6,12H2,1-2H3
InChIKeyBWEBMIFAYBYEMR-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.12
Rot. Bonds2

About methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate

methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate (PubChem CID 43551425) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate
PubChem CID43551425
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Namemethyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1cc(N)ccc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-13(10(14)15-2)6-7-5-8(12)3-4-9(7)11/h3-5H,6,12H2,1-2H3
InChIKeyBWEBMIFAYBYEMR-UHFFFAOYSA-N
XLogP2.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-amino-2-chlorophenyl)methyl]-3-ethoxy-N-methylpropanamide
CID 62588977
methyl 2-[(5-amino-2-chlorophenyl)methyl-methylsulfamoyl]acetate
CID 61456989
N-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
CID 106826067
N-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide
CID 43549697
2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 55157213
N-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide
CID 114457040
N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
CID 43549722
methyl 4-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate
CID 66287522
5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 61111701
N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide
CID 81453152
methyl N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N-methylcarbamate
CID 115190631
tert-butyl N-[(5-amino-2-bromophenyl)methyl]-N-methylcarbamate
CID 59315049

Frequently Asked Questions

What is the IUPAC name of methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate?
The IUPAC name of methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate (CID 43551425) is methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate is COC(=O)N(C)Cc1cc(N)ccc1Cl.
What is the InChIKey of methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate?
The InChIKey is BWEBMIFAYBYEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-13(10(14)15-2)6-7-5-8(12)3-4-9(7)11/h3-5H,6,12H2,1-2H3.
What are the key properties of methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate?
methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate has a molecular weight of 228.68 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate is sourced from PubChem (CID 43551425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).