methyl N-(3-amino-2,6-dimethylphenyl)carbamate

C10H14N2O2 — CID 19857501

IUPACmethyl N-(3-amino-2,6-dimethylphenyl)carbamate
SMILESCOC(=O)Nc1c(C)ccc(N)c1C
InChIInChI=1S/C10H14N2O2/c1-6-4-5-8(11)7(2)9(6)12-10(13)14-3/h4-5H,11H2,1-3H3,(H,12,13)
InChIKeyMNZVCDXRIBHRON-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.06
Rot. Bonds1

About methyl N-(3-amino-2,6-dimethylphenyl)carbamate

methyl N-(3-amino-2,6-dimethylphenyl)carbamate (PubChem CID 19857501) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl N-(3-amino-2,6-dimethylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-amino-2,6-dimethylphenyl)carbamate
PubChem CID19857501
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namemethyl N-(3-amino-2,6-dimethylphenyl)carbamate
SMILESCOC(=O)Nc1c(C)ccc(N)c1C
InChIInChI=1S/C10H14N2O2/c1-6-4-5-8(11)7(2)9(6)12-10(13)14-3/h4-5H,11H2,1-3H3,(H,12,13)
InChIKeyMNZVCDXRIBHRON-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 24700779
(3-amino-2,6-dimethylphenyl)urea
CID 19820899
N-(3-amino-2,6-dimethylphenyl)butanamide
CID 24711453
N-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide
CID 28776914
N-(3-amino-2,6-dimethylphenyl)-2-methoxy-5-methylbenzamide
CID 62503695
N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 24707284
1-(3-amino-2,6-dimethylphenyl)-3-propylurea
CID 28785713
N-(3-amino-2,6-dimethylphenyl)-2-hydroxybenzamide
CID 24708392
N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 28776911
N-(3-amino-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103555368
N-(3-amino-2,6-dimethylphenyl)-2-hydroxy-3-methoxybenzamide
CID 24709290
N-(3-amino-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79737127

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-amino-2,6-dimethylphenyl)carbamate?
The IUPAC name of methyl N-(3-amino-2,6-dimethylphenyl)carbamate (CID 19857501) is methyl N-(3-amino-2,6-dimethylphenyl)carbamate.
What is the SMILES notation for methyl N-(3-amino-2,6-dimethylphenyl)carbamate?
The canonical SMILES for methyl N-(3-amino-2,6-dimethylphenyl)carbamate is COC(=O)Nc1c(C)ccc(N)c1C.
What is the InChIKey of methyl N-(3-amino-2,6-dimethylphenyl)carbamate?
The InChIKey is MNZVCDXRIBHRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-4-5-8(11)7(2)9(6)12-10(13)14-3/h4-5H,11H2,1-3H3,(H,12,13).
What are the key properties of methyl N-(3-amino-2,6-dimethylphenyl)carbamate?
methyl N-(3-amino-2,6-dimethylphenyl)carbamate has a molecular weight of 194.23 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-amino-2,6-dimethylphenyl)carbamate is sourced from PubChem (CID 19857501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).