(4-amino-3-bromophenyl) N,N-dimethylcarbamate

C9H11BrN2O2 — CID 156649219

IUPAC(4-amino-3-bromophenyl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(N)c(Br)c1
InChIInChI=1S/C9H11BrN2O2/c1-12(2)9(13)14-6-3-4-8(11)7(10)5-6/h3-5H,11H2,1-2H3
InChIKeyBDTNRQDSLNIQOQ-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.09
Rot. Bonds1

About (4-amino-3-bromophenyl) N,N-dimethylcarbamate

(4-amino-3-bromophenyl) N,N-dimethylcarbamate (PubChem CID 156649219) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is (4-amino-3-bromophenyl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(4-amino-3-bromophenyl) N,N-dimethylcarbamate
PubChem CID156649219
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name(4-amino-3-bromophenyl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(N)c(Br)c1
InChIInChI=1S/C9H11BrN2O2/c1-12(2)9(13)14-6-3-4-8(11)7(10)5-6/h3-5H,11H2,1-2H3
InChIKeyBDTNRQDSLNIQOQ-UHFFFAOYSA-N
XLogP2.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-amino-3-bromophenyl) N,N-dimethylcarbamate 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

(6-bromonaphthalen-2-yl) N,N-dimethylcarbamate
CID 807327
(4-aminophenyl) N,N-dimethylcarbamate
CID 21427559
[3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate
CID 23621926
(4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate
CID 163320495
2-bromo-4-trimethylsilyloxyaniline
CID 130639886
[4-(dimethylamino)-3-methylphenyl] N,N-dimethylcarbamate;iodomethane
CID 23622038
(3,4-dibromophenyl) N,N-bis(1-sulfanylethyl)carbamate
CID 57287504
2-bromo-4-(4-methoxyphenyl)aniline
CID 115051245
(2-bromo-4-methylphenyl) N,N-dimethylcarbamate
CID 125485280
(1-methylindol-5-yl) N,N-dimethylcarbamate
CID 135084485
(2-bromo-5-chlorophenyl) N,N-dimethylcarbamate
CID 62706612
(2-hydroxy-4-methoxyphenyl) N,N-dimethylcarbamate
CID 125485691

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-bromophenyl) N,N-dimethylcarbamate?
The IUPAC name of (4-amino-3-bromophenyl) N,N-dimethylcarbamate (CID 156649219) is (4-amino-3-bromophenyl) N,N-dimethylcarbamate.
What is the SMILES notation for (4-amino-3-bromophenyl) N,N-dimethylcarbamate?
The canonical SMILES for (4-amino-3-bromophenyl) N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc(N)c(Br)c1.
What is the InChIKey of (4-amino-3-bromophenyl) N,N-dimethylcarbamate?
The InChIKey is BDTNRQDSLNIQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-12(2)9(13)14-6-3-4-8(11)7(10)5-6/h3-5H,11H2,1-2H3.
What are the key properties of (4-amino-3-bromophenyl) N,N-dimethylcarbamate?
(4-amino-3-bromophenyl) N,N-dimethylcarbamate has a molecular weight of 259.10 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-bromophenyl) N,N-dimethylcarbamate is sourced from PubChem (CID 156649219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).