(2,6-dimethylphenyl) N-[2-(methylamino)ethyl]carbamate

C12H18N2O2 — CID 83822836

IUPAC(2,6-dimethylphenyl) N-[2-(methylamino)ethyl]carbamate
SMILESCNCCNC(=O)Oc1c(C)cccc1C
InChIInChI=1S/C12H18N2O2/c1-9-5-4-6-10(2)11(9)16-12(15)14-8-7-13-3/h4-6,13H,7-8H2,1-3H3,(H,14,15)
InChIKeyKYQSBFHBEZGZMM-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.61
Rot. Bonds4

About (2,6-dimethylphenyl) N-[2-(methylamino)ethyl]carbamate

(2,6-dimethylphenyl) N-[2-(methylamino)ethyl]carbamate (PubChem CID 83822836) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2,6-dimethylphenyl) N-[2-(methylamino)ethyl]carbamate.

Molecular Properties

Compound Name(2,6-dimethylphenyl) N-[2-(methylamino)ethyl]carbamate
PubChem CID83822836
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2,6-dimethylphenyl) N-[2-(methylamino)ethyl]carbamate
SMILESCNCCNC(=O)Oc1c(C)cccc1C
InChIInChI=1S/C12H18N2O2/c1-9-5-4-6-10(2)11(9)16-12(15)14-8-7-13-3/h4-6,13H,7-8H2,1-3H3,(H,14,15)
InChIKeyKYQSBFHBEZGZMM-UHFFFAOYSA-N
XLogP1.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,6-dimethylphenyl) N-[2-(methylamino)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-dimethylphenyl) N-(cyanomethyl)carbamate
CID 112709050
(3-methylphenyl) N-[2-(methylamino)ethyl]carbamate
CID 83820443
(2-chlorophenyl) N-[2-(methylamino)ethyl]carbamate
CID 83823725
(2-amino-6-methylphenyl) N-butylcarbamate
CID 91044635
(2,6-dimethylphenyl) 2-chloroacetate
CID 54160838
ethyl N-[2-[3-(2,6-dimethylphenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108881896
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
(2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate
CID 7996910
3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119504301
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
(2-methylphenyl) N-[6-[(2-methylphenoxy)carbonylamino]hexyl]carbamate
CID 4683579
phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate
CID 108574783

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl) N-[2-(methylamino)ethyl]carbamate?
The IUPAC name of (2,6-dimethylphenyl) N-[2-(methylamino)ethyl]carbamate (CID 83822836) is (2,6-dimethylphenyl) N-[2-(methylamino)ethyl]carbamate.
What is the SMILES notation for (2,6-dimethylphenyl) N-[2-(methylamino)ethyl]carbamate?
The canonical SMILES for (2,6-dimethylphenyl) N-[2-(methylamino)ethyl]carbamate is CNCCNC(=O)Oc1c(C)cccc1C.
What is the InChIKey of (2,6-dimethylphenyl) N-[2-(methylamino)ethyl]carbamate?
The InChIKey is KYQSBFHBEZGZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-5-4-6-10(2)11(9)16-12(15)14-8-7-13-3/h4-6,13H,7-8H2,1-3H3,(H,14,15).
What are the key properties of (2,6-dimethylphenyl) N-[2-(methylamino)ethyl]carbamate?
(2,6-dimethylphenyl) N-[2-(methylamino)ethyl]carbamate has a molecular weight of 222.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl) N-[2-(methylamino)ethyl]carbamate is sourced from PubChem (CID 83822836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).