(2-bromo-4-methylphenyl) N,N-dimethylcarbamate

C10H12BrNO2 — CID 125485280

IUPAC(2-bromo-4-methylphenyl) N,N-dimethylcarbamate
SMILESCc1ccc(OC(=O)N(C)C)c(Br)c1
InChIInChI=1S/C10H12BrNO2/c1-7-4-5-9(8(11)6-7)14-10(13)12(2)3/h4-6H,1-3H3
InChIKeyVXLUHPKPZDFVSQ-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.82
Rot. Bonds1

About (2-bromo-4-methylphenyl) N,N-dimethylcarbamate

(2-bromo-4-methylphenyl) N,N-dimethylcarbamate (PubChem CID 125485280) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is (2-bromo-4-methylphenyl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(2-bromo-4-methylphenyl) N,N-dimethylcarbamate
PubChem CID125485280
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name(2-bromo-4-methylphenyl) N,N-dimethylcarbamate
SMILESCc1ccc(OC(=O)N(C)C)c(Br)c1
InChIInChI=1S/C10H12BrNO2/c1-7-4-5-9(8(11)6-7)14-10(13)12(2)3/h4-6H,1-3H3
InChIKeyVXLUHPKPZDFVSQ-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-methylphenyl) butanoate
CID 19184226
(2-bromo-5-chlorophenyl) N,N-dimethylcarbamate
CID 62706612
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
(2-bromo-4-methylphenyl) 4-ethylbenzoate
CID 19225901
(2-bromo-4-methylphenyl) 3,5-dimethoxybenzoate
CID 7917990
3-amino-4-(2-bromo-4-methylphenoxy)-N,N-dimethylbenzamide
CID 82989678
2-(2-bromo-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid
CID 2934581
(2-bromo-4-methylphenyl) 2-fluorobenzoate
CID 23011824
(2-bromo-4-methylphenyl) 2-phenoxyacetate
CID 19178939
(5-bromo-4-methyl-3-pyridinyl) N,N-dimethylcarbamate
CID 174161433
(2-bromo-4-methylphenyl) 4-ethoxybenzoate
CID 23011316
(2-bromo-4-methylphenyl) 3,5-dimethylpiperidine-1-carboxylate
CID 59825489

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methylphenyl) N,N-dimethylcarbamate?
The IUPAC name of (2-bromo-4-methylphenyl) N,N-dimethylcarbamate (CID 125485280) is (2-bromo-4-methylphenyl) N,N-dimethylcarbamate.
What is the SMILES notation for (2-bromo-4-methylphenyl) N,N-dimethylcarbamate?
The canonical SMILES for (2-bromo-4-methylphenyl) N,N-dimethylcarbamate is Cc1ccc(OC(=O)N(C)C)c(Br)c1.
What is the InChIKey of (2-bromo-4-methylphenyl) N,N-dimethylcarbamate?
The InChIKey is VXLUHPKPZDFVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-7-4-5-9(8(11)6-7)14-10(13)12(2)3/h4-6H,1-3H3.
What are the key properties of (2-bromo-4-methylphenyl) N,N-dimethylcarbamate?
(2-bromo-4-methylphenyl) N,N-dimethylcarbamate has a molecular weight of 258.11 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methylphenyl) N,N-dimethylcarbamate is sourced from PubChem (CID 125485280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).