(2-methylphenyl)methyl N,N-diethylcarbamate

C13H19NO2 — CID 127519687

IUPAC(2-methylphenyl)methyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCc1ccccc1C
InChIInChI=1S/C13H19NO2/c1-4-14(5-2)13(15)16-10-12-9-7-6-8-11(12)3/h6-9H,4-5,10H2,1-3H3
InChIKeyRSLHNHLJWZNGJF-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.97
Rot. Bonds4

About (2-methylphenyl)methyl N,N-diethylcarbamate

(2-methylphenyl)methyl N,N-diethylcarbamate (PubChem CID 127519687) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2-methylphenyl)methyl N,N-diethylcarbamate.

Molecular Properties

Compound Name(2-methylphenyl)methyl N,N-diethylcarbamate
PubChem CID127519687
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2-methylphenyl)methyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCc1ccccc1C
InChIInChI=1S/C13H19NO2/c1-4-14(5-2)13(15)16-10-12-9-7-6-8-11(12)3/h6-9H,4-5,10H2,1-3H3
InChIKeyRSLHNHLJWZNGJF-UHFFFAOYSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(2-methylphenyl)methyl acetate
CID 143177732
bis[(2-methylphenyl)methyl] pentanedioate
CID 91703351
benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate
CID 130159213
[2-(3-methoxyphenyl)phenyl]methyl N,N-diethylcarbamate
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(2-methylphenyl)methyl 2,2,2-trifluoroacetate
CID 2753147
(2-methylphenyl)methyl prop-2-ynoate
CID 175312012
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
benzyl N-ethyl-N-[[(2R)-oxiran-2-yl]methyl]carbamate
CID 88573099
benzyl N-ethyl-N-propylcarbamate
CID 126656974
(2-methylphenyl)methyl 4-(diethylsulfamoyl)benzoate
CID 7784760
(2-methylphenyl)methyl 2-amino-4-methylpentanoate
CID 112510029
benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl N,N-diethylcarbamate?
The IUPAC name of (2-methylphenyl)methyl N,N-diethylcarbamate (CID 127519687) is (2-methylphenyl)methyl N,N-diethylcarbamate.
What is the SMILES notation for (2-methylphenyl)methyl N,N-diethylcarbamate?
The canonical SMILES for (2-methylphenyl)methyl N,N-diethylcarbamate is CCN(CC)C(=O)OCc1ccccc1C.
What is the InChIKey of (2-methylphenyl)methyl N,N-diethylcarbamate?
The InChIKey is RSLHNHLJWZNGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-14(5-2)13(15)16-10-12-9-7-6-8-11(12)3/h6-9H,4-5,10H2,1-3H3.
What are the key properties of (2-methylphenyl)methyl N,N-diethylcarbamate?
(2-methylphenyl)methyl N,N-diethylcarbamate has a molecular weight of 221.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methyl N,N-diethylcarbamate is sourced from PubChem (CID 127519687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).