2-methylpropyl N-(3-aminophenyl)-N-ethylcarbamate

C13H20N2O2 — CID 63229674

IUPAC2-methylpropyl N-(3-aminophenyl)-N-ethylcarbamate
SMILESCCN(C(=O)OCC(C)C)c1cccc(N)c1
InChIInChI=1S/C13H20N2O2/c1-4-15(13(16)17-9-10(2)3)12-7-5-6-11(14)8-12/h5-8,10H,4,9,14H2,1-3H3
InChIKeyBATUXTZPTVEJMK-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.89
Rot. Bonds4

About 2-methylpropyl N-(3-aminophenyl)-N-ethylcarbamate

2-methylpropyl N-(3-aminophenyl)-N-ethylcarbamate (PubChem CID 63229674) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methylpropyl N-(3-aminophenyl)-N-ethylcarbamate.

Molecular Properties

Compound Name2-methylpropyl N-(3-aminophenyl)-N-ethylcarbamate
PubChem CID63229674
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-methylpropyl N-(3-aminophenyl)-N-ethylcarbamate
SMILESCCN(C(=O)OCC(C)C)c1cccc(N)c1
InChIInChI=1S/C13H20N2O2/c1-4-15(13(16)17-9-10(2)3)12-7-5-6-11(14)8-12/h5-8,10H,4,9,14H2,1-3H3
InChIKeyBATUXTZPTVEJMK-UHFFFAOYSA-N
XLogP2.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide
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2-methylpropyl 3-aminobenzoate
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N-(3-aminophenyl)-N-ethyldecanamide
CID 65448348
N-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide
CID 107937517
propan-2-yl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734181
1-(3-aminophenyl)-3-ethyl-1-propylurea
CID 63230299
N-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide
CID 107721468
N-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
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N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(3-aminophenyl)-N-ethylcarbamate?
The IUPAC name of 2-methylpropyl N-(3-aminophenyl)-N-ethylcarbamate (CID 63229674) is 2-methylpropyl N-(3-aminophenyl)-N-ethylcarbamate.
What is the SMILES notation for 2-methylpropyl N-(3-aminophenyl)-N-ethylcarbamate?
The canonical SMILES for 2-methylpropyl N-(3-aminophenyl)-N-ethylcarbamate is CCN(C(=O)OCC(C)C)c1cccc(N)c1.
What is the InChIKey of 2-methylpropyl N-(3-aminophenyl)-N-ethylcarbamate?
The InChIKey is BATUXTZPTVEJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-15(13(16)17-9-10(2)3)12-7-5-6-11(14)8-12/h5-8,10H,4,9,14H2,1-3H3.
What are the key properties of 2-methylpropyl N-(3-aminophenyl)-N-ethylcarbamate?
2-methylpropyl N-(3-aminophenyl)-N-ethylcarbamate has a molecular weight of 236.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(3-aminophenyl)-N-ethylcarbamate is sourced from PubChem (CID 63229674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).