(3-methylphenyl) N-[2-(methylamino)ethyl]carbamate

C11H16N2O2 — CID 83820443

IUPAC(3-methylphenyl) N-[2-(methylamino)ethyl]carbamate
SMILESCNCCNC(=O)Oc1cccc(C)c1
InChIInChI=1S/C11H16N2O2/c1-9-4-3-5-10(8-9)15-11(14)13-7-6-12-2/h3-5,8,12H,6-7H2,1-2H3,(H,13,14)
InChIKeyPUACCZOUQGQWGI-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.30
Rot. Bonds4

About (3-methylphenyl) N-[2-(methylamino)ethyl]carbamate

(3-methylphenyl) N-[2-(methylamino)ethyl]carbamate (PubChem CID 83820443) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3-methylphenyl) N-[2-(methylamino)ethyl]carbamate.

Molecular Properties

Compound Name(3-methylphenyl) N-[2-(methylamino)ethyl]carbamate
PubChem CID83820443
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(3-methylphenyl) N-[2-(methylamino)ethyl]carbamate
SMILESCNCCNC(=O)Oc1cccc(C)c1
InChIInChI=1S/C11H16N2O2/c1-9-4-3-5-10(8-9)15-11(14)13-7-6-12-2/h3-5,8,12H,6-7H2,1-2H3,(H,13,14)
InChIKeyPUACCZOUQGQWGI-UHFFFAOYSA-N
XLogP1.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
(2,6-dimethylphenyl) N-[2-(methylamino)ethyl]carbamate
CID 83822836
(3-methylphenyl) N-(cyclopentylmethyl)carbamate
CID 141077229
methanedisulfonic acid;(3-methylphenyl) N-methylcarbamate
CID 88837108
(3-methylphenyl) N-benzoylcarbamate
CID 790837
4-(methylamino)-2-(3-methylphenoxy)butanoic acid
CID 112517898
bis(3-methylphenyl) pentanedioate
CID 70246036
butyl dihydrogen phosphate;(3-methylphenyl) N-methylcarbamate
CID 67592922
(3-methylphenyl) 2-(2,2-dimethylpropanoylamino)acetate
CID 110670400
(3-methylphenyl) 3-aminopropanoate
CID 82111471
2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804933
(3-methylphenyl) N-(3-ethoxyphenyl)carbamate
CID 56690131

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl) N-[2-(methylamino)ethyl]carbamate?
The IUPAC name of (3-methylphenyl) N-[2-(methylamino)ethyl]carbamate (CID 83820443) is (3-methylphenyl) N-[2-(methylamino)ethyl]carbamate.
What is the SMILES notation for (3-methylphenyl) N-[2-(methylamino)ethyl]carbamate?
The canonical SMILES for (3-methylphenyl) N-[2-(methylamino)ethyl]carbamate is CNCCNC(=O)Oc1cccc(C)c1.
What is the InChIKey of (3-methylphenyl) N-[2-(methylamino)ethyl]carbamate?
The InChIKey is PUACCZOUQGQWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9-4-3-5-10(8-9)15-11(14)13-7-6-12-2/h3-5,8,12H,6-7H2,1-2H3,(H,13,14).
What are the key properties of (3-methylphenyl) N-[2-(methylamino)ethyl]carbamate?
(3-methylphenyl) N-[2-(methylamino)ethyl]carbamate has a molecular weight of 208.26 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl) N-[2-(methylamino)ethyl]carbamate is sourced from PubChem (CID 83820443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).