[3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate

C12H18N2O2 — CID 23621926

IUPAC[3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate
SMILESCc1ccc(OC(=O)N(C)C)cc1N(C)C
InChIInChI=1S/C12H18N2O2/c1-9-6-7-10(8-11(9)13(2)3)16-12(15)14(4)5/h6-8H,1-5H3
InChIKeyKCAGSWHCFRATRZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.12
Rot. Bonds2

About [3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate

[3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate (PubChem CID 23621926) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate
PubChem CID23621926
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate
SMILESCc1ccc(OC(=O)N(C)C)cc1N(C)C
InChIInChI=1S/C12H18N2O2/c1-9-6-7-10(8-11(9)13(2)3)16-12(15)14(4)5/h6-8H,1-5H3
InChIKeyKCAGSWHCFRATRZ-UHFFFAOYSA-N
XLogP2.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(dimethylamino)-3-methylphenyl] N,N-dimethylcarbamate;iodomethane
CID 23622038
[4-(dimethylamino)-3-heptylphenyl] N,N-dimethylcarbamate
CID 23621908
5-ethoxy-N,N,2-trimethylaniline
CID 54263665
(6-bromonaphthalen-2-yl) N,N-dimethylcarbamate
CID 807327
(4-aminophenyl) N,N-dimethylcarbamate
CID 21427559
[3-(dimethylamino)-4-methylphenyl] acetate;1-(4-methyl-3-nitrophenyl)ethanone
CID 54025741
(4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate
CID 163320495
(4-amino-3-bromophenyl) N,N-dimethylcarbamate
CID 156649219
(1-methylindol-5-yl) N,N-dimethylcarbamate
CID 135084485
quinolin-7-yl N,N-dimethylcarbamate
CID 11218314
[4-(dimethylamino)-3-methylphenyl] N-(trideuteriomethyl)carbamate
CID 169433790
[3-acetyl-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
CID 11011847

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate?
The IUPAC name of [3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate (CID 23621926) is [3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate is Cc1ccc(OC(=O)N(C)C)cc1N(C)C.
What is the InChIKey of [3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate?
The InChIKey is KCAGSWHCFRATRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-6-7-10(8-11(9)13(2)3)16-12(15)14(4)5/h6-8H,1-5H3.
What are the key properties of [3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate?
[3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate has a molecular weight of 222.29 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 23621926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).