(2-bromo-3,4-dimethylphenyl) N-methylcarbamate

C10H12BrNO2 — CID 154109694

IUPAC(2-bromo-3,4-dimethylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc(C)c(C)c1Br
InChIInChI=1S/C10H12BrNO2/c1-6-4-5-8(9(11)7(6)2)14-10(13)12-3/h4-5H,1-3H3,(H,12,13)
InChIKeyPIBKOXOSVJDJRS-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.78
Rot. Bonds1

About (2-bromo-3,4-dimethylphenyl) N-methylcarbamate

(2-bromo-3,4-dimethylphenyl) N-methylcarbamate (PubChem CID 154109694) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is (2-bromo-3,4-dimethylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(2-bromo-3,4-dimethylphenyl) N-methylcarbamate
PubChem CID154109694
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name(2-bromo-3,4-dimethylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc(C)c(C)c1Br
InChIInChI=1S/C10H12BrNO2/c1-6-4-5-8(9(11)7(6)2)14-10(13)12-3/h4-5H,1-3H3,(H,12,13)
InChIKeyPIBKOXOSVJDJRS-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-3,4-difluorophenyl) N-methylcarbamate
CID 91799161
2-bromo-3,4-dimethylbenzoic acid
CID 20520739
(2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride
CID 172729732
[2-methyl-5-(pentan-3-ylamino)phenyl] N-methylcarbamate
CID 23622010
(2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate
CID 25549
(4-methyl-2-propan-2-ylphenyl) N-methylcarbamate
CID 12953311
(2-chloro-4,5-dimethylphenyl) N-methylcarbamate;phenol
CID 21114999
(3,4-difluoro-2-iodophenyl) N-methylcarbamate
CID 91799162
(2,3-dimethylquinolin-8-yl) N-methylcarbamate
CID 69053510
(4-bromo-2-methylphenyl) N-ethylcarbamate
CID 54003233
[2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate
CID 53245201
naphthalen-1-yl N-methylcarbamate
CID 23447097

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3,4-dimethylphenyl) N-methylcarbamate?
The IUPAC name of (2-bromo-3,4-dimethylphenyl) N-methylcarbamate (CID 154109694) is (2-bromo-3,4-dimethylphenyl) N-methylcarbamate.
What is the SMILES notation for (2-bromo-3,4-dimethylphenyl) N-methylcarbamate?
The canonical SMILES for (2-bromo-3,4-dimethylphenyl) N-methylcarbamate is CNC(=O)Oc1ccc(C)c(C)c1Br.
What is the InChIKey of (2-bromo-3,4-dimethylphenyl) N-methylcarbamate?
The InChIKey is PIBKOXOSVJDJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-6-4-5-8(9(11)7(6)2)14-10(13)12-3/h4-5H,1-3H3,(H,12,13).
What are the key properties of (2-bromo-3,4-dimethylphenyl) N-methylcarbamate?
(2-bromo-3,4-dimethylphenyl) N-methylcarbamate has a molecular weight of 258.11 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3,4-dimethylphenyl) N-methylcarbamate is sourced from PubChem (CID 154109694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).