[4-(2-aminoethyl)phenyl] N-ethylcarbamate

C11H16N2O2 — CID 79337248

IUPAC[4-(2-aminoethyl)phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc(CCN)cc1
InChIInChI=1S/C11H16N2O2/c1-2-13-11(14)15-10-5-3-9(4-6-10)7-8-12/h3-6H,2,7-8,12H2,1H3,(H,13,14)
InChIKeyNNZDBVKQEXZNLU-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.30
Rot. Bonds4

About [4-(2-aminoethyl)phenyl] N-ethylcarbamate

[4-(2-aminoethyl)phenyl] N-ethylcarbamate (PubChem CID 79337248) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is [4-(2-aminoethyl)phenyl] N-ethylcarbamate.

Molecular Properties

Compound Name[4-(2-aminoethyl)phenyl] N-ethylcarbamate
PubChem CID79337248
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name[4-(2-aminoethyl)phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc(CCN)cc1
InChIInChI=1S/C11H16N2O2/c1-2-13-11(14)15-10-5-3-9(4-6-10)7-8-12/h3-6H,2,7-8,12H2,1H3,(H,13,14)
InChIKeyNNZDBVKQEXZNLU-UHFFFAOYSA-N
XLogP1.30
TPSA64.35 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

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Related Compounds

[4-(2-aminoethyl)phenyl] N-propylcarbamate
CID 79338383
[4-(2-aminoethyl)phenyl] hydrogen carbonate;hydrochloride
CID 171616803
[4-(2-aminoethyl)phenyl] N-(3-chloro-4-methylphenyl)carbamate
CID 79341773
[4-(diethoxyphosphorylmethyl)phenyl] N-ethylcarbamate
CID 130408458
[4-[3-(4-methoxyphenyl)-1-(methylamino)propyl]phenyl] N-ethylcarbamate
CID 25049961
[4-(2-aminoethyl)phenyl] N-(2-chlorophenyl)carbamate
CID 79337961
propyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate
CID 112738600
2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16773407
methyl 2-[4-(2-aminoethyl)phenoxy]acetate
CID 15674417
2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 158927905
(4-aminophenyl) N-butylcarbamate
CID 126552960
(4-ethoxycarbonylphenyl) 4-(4-propylphenyl)benzoate
CID 59917202

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)phenyl] N-ethylcarbamate?
The IUPAC name of [4-(2-aminoethyl)phenyl] N-ethylcarbamate (CID 79337248) is [4-(2-aminoethyl)phenyl] N-ethylcarbamate.
What is the SMILES notation for [4-(2-aminoethyl)phenyl] N-ethylcarbamate?
The canonical SMILES for [4-(2-aminoethyl)phenyl] N-ethylcarbamate is CCNC(=O)Oc1ccc(CCN)cc1.
What is the InChIKey of [4-(2-aminoethyl)phenyl] N-ethylcarbamate?
The InChIKey is NNZDBVKQEXZNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-13-11(14)15-10-5-3-9(4-6-10)7-8-12/h3-6H,2,7-8,12H2,1H3,(H,13,14).
What are the key properties of [4-(2-aminoethyl)phenyl] N-ethylcarbamate?
[4-(2-aminoethyl)phenyl] N-ethylcarbamate 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 [4-(2-aminoethyl)phenyl] N-ethylcarbamate is sourced from PubChem (CID 79337248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).