(4-aminophenyl) N,N-dimethylcarbamate

C9H12N2O2 — CID 21427559

IUPAC(4-aminophenyl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(N)cc1
InChIInChI=1S/C9H12N2O2/c1-11(2)9(12)13-8-5-3-7(10)4-6-8/h3-6H,10H2,1-2H3
InChIKeyYAEZNHYOZHLAHC-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.33
Rot. Bonds1

About (4-aminophenyl) N,N-dimethylcarbamate

(4-aminophenyl) N,N-dimethylcarbamate (PubChem CID 21427559) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (4-aminophenyl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(4-aminophenyl) N,N-dimethylcarbamate
PubChem CID21427559
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(4-aminophenyl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(N)cc1
InChIInChI=1S/C9H12N2O2/c1-11(2)9(12)13-8-5-3-7(10)4-6-8/h3-6H,10H2,1-2H3
InChIKeyYAEZNHYOZHLAHC-UHFFFAOYSA-N
XLogP1.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-3-bromophenyl) N,N-dimethylcarbamate
CID 156649219
2-amino-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid
CID 22386449
(4-aminophenyl) 2-methylpropanoate;hydrochloride
CID 174366284
(4-pyrrolidin-1-ylphenyl) N,N-dimethylcarbamate
CID 67304885
(4-aminophenyl) acetate;nitrous acid
CID 174579192
[3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate
CID 23621926
(6-bromonaphthalen-2-yl) N,N-dimethylcarbamate
CID 807327
[4-[(2S)-2-amino-3-[di(propan-2-yl)amino]propyl]phenyl] N,N-dimethylcarbamate
CID 59904547
(4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate
CID 163320495
bis(4-aminophenyl) benzene-1,2-dicarboxylate
CID 20517221
(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]acetate
CID 25234030
[4-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;methyl sulfate
CID 175674988

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl) N,N-dimethylcarbamate?
The IUPAC name of (4-aminophenyl) N,N-dimethylcarbamate (CID 21427559) is (4-aminophenyl) N,N-dimethylcarbamate.
What is the SMILES notation for (4-aminophenyl) N,N-dimethylcarbamate?
The canonical SMILES for (4-aminophenyl) N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl) N,N-dimethylcarbamate?
The InChIKey is YAEZNHYOZHLAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11(2)9(12)13-8-5-3-7(10)4-6-8/h3-6H,10H2,1-2H3.
What are the key properties of (4-aminophenyl) N,N-dimethylcarbamate?
(4-aminophenyl) N,N-dimethylcarbamate has a molecular weight of 180.21 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl) N,N-dimethylcarbamate is sourced from PubChem (CID 21427559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).