(4-bromophenyl)methyl N,N-dimethylcarbamate

C10H12BrNO2 — CID 12963463

IUPAC(4-bromophenyl)methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO2/c1-12(2)10(13)14-7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3
InChIKeyHHAZDPBRGOOZPI-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.65
Rot. Bonds2

About (4-bromophenyl)methyl N,N-dimethylcarbamate

(4-bromophenyl)methyl N,N-dimethylcarbamate (PubChem CID 12963463) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is (4-bromophenyl)methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name(4-bromophenyl)methyl N,N-dimethylcarbamate
PubChem CID12963463
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name(4-bromophenyl)methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO2/c1-12(2)10(13)14-7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3
InChIKeyHHAZDPBRGOOZPI-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-bromophenyl)methyl 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

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl N,N-dimethylcarbamate?
The IUPAC name of (4-bromophenyl)methyl N,N-dimethylcarbamate (CID 12963463) is (4-bromophenyl)methyl N,N-dimethylcarbamate.
What is the SMILES notation for (4-bromophenyl)methyl N,N-dimethylcarbamate?
The canonical SMILES for (4-bromophenyl)methyl N,N-dimethylcarbamate is CN(C)C(=O)OCc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methyl N,N-dimethylcarbamate?
The InChIKey is HHAZDPBRGOOZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-12(2)10(13)14-7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of (4-bromophenyl)methyl N,N-dimethylcarbamate?
(4-bromophenyl)methyl N,N-dimethylcarbamate has a molecular weight of 258.11 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl N,N-dimethylcarbamate is sourced from PubChem (CID 12963463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).