2-[2-(1-aminocyclopropyl)phenyl]-N-ethylacetamide

C13H18N2O — CID 115030861

IUPAC2-[2-(1-aminocyclopropyl)phenyl]-N-ethylacetamide
SMILESCCNC(=O)Cc1ccccc1C1(N)CC1
InChIInChI=1S/C13H18N2O/c1-2-15-12(16)9-10-5-3-4-6-11(10)13(14)7-8-13/h3-6H,2,7-9,14H2,1H3,(H,15,16)
InChIKeyJBVMZQQFFPHHLC-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.31
Rot. Bonds4

About 2-[2-(1-aminocyclopropyl)phenyl]-N-ethylacetamide

2-[2-(1-aminocyclopropyl)phenyl]-N-ethylacetamide (PubChem CID 115030861) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[2-(1-aminocyclopropyl)phenyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(1-aminocyclopropyl)phenyl]-N-ethylacetamide
PubChem CID115030861
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-[2-(1-aminocyclopropyl)phenyl]-N-ethylacetamide
SMILESCCNC(=O)Cc1ccccc1C1(N)CC1
InChIInChI=1S/C13H18N2O/c1-2-15-12(16)9-10-5-3-4-6-11(10)13(14)7-8-13/h3-6H,2,7-9,14H2,1H3,(H,15,16)
InChIKeyJBVMZQQFFPHHLC-UHFFFAOYSA-N
XLogP1.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminocyclopropyl)phenyl]-N-ethylacetamide?
The IUPAC name of 2-[2-(1-aminocyclopropyl)phenyl]-N-ethylacetamide (CID 115030861) is 2-[2-(1-aminocyclopropyl)phenyl]-N-ethylacetamide.
What is the SMILES notation for 2-[2-(1-aminocyclopropyl)phenyl]-N-ethylacetamide?
The canonical SMILES for 2-[2-(1-aminocyclopropyl)phenyl]-N-ethylacetamide is CCNC(=O)Cc1ccccc1C1(N)CC1.
What is the InChIKey of 2-[2-(1-aminocyclopropyl)phenyl]-N-ethylacetamide?
The InChIKey is JBVMZQQFFPHHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-15-12(16)9-10-5-3-4-6-11(10)13(14)7-8-13/h3-6H,2,7-9,14H2,1H3,(H,15,16).
What are the key properties of 2-[2-(1-aminocyclopropyl)phenyl]-N-ethylacetamide?
2-[2-(1-aminocyclopropyl)phenyl]-N-ethylacetamide has a molecular weight of 218.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminocyclopropyl)phenyl]-N-ethylacetamide is sourced from PubChem (CID 115030861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).