ethyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate

C13H18N2O2 — CID 43276107

IUPACethyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate
SMILESCCOC(=O)N(c1ccc(CN)cc1)C1CC1
InChIInChI=1S/C13H18N2O2/c1-2-17-13(16)15(12-7-8-12)11-5-3-10(9-14)4-6-11/h3-6,12H,2,7-9,14H2,1H3
InChIKeyWGKIAKOSWWVUJL-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.27
Rot. Bonds4

About ethyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate

ethyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate (PubChem CID 43276107) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate.

Molecular Properties

Compound Nameethyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate
PubChem CID43276107
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nameethyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate
SMILESCCOC(=O)N(c1ccc(CN)cc1)C1CC1
InChIInChI=1S/C13H18N2O2/c1-2-17-13(16)15(12-7-8-12)11-5-3-10(9-14)4-6-11/h3-6,12H,2,7-9,14H2,1H3
InChIKeyWGKIAKOSWWVUJL-UHFFFAOYSA-N
XLogP2.27
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate?
The IUPAC name of ethyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate (CID 43276107) is ethyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate.
What is the SMILES notation for ethyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate?
The canonical SMILES for ethyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate is CCOC(=O)N(c1ccc(CN)cc1)C1CC1.
What is the InChIKey of ethyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate?
The InChIKey is WGKIAKOSWWVUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-17-13(16)15(12-7-8-12)11-5-3-10(9-14)4-6-11/h3-6,12H,2,7-9,14H2,1H3.
What are the key properties of ethyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate?
ethyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate has a molecular weight of 234.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate is sourced from PubChem (CID 43276107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).