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

C14H20N2O — CID 115039045

IUPAC2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylacetamide
SMILESCCNC(=O)Cc1ccccc1CC1(N)CC1
InChIInChI=1S/C14H20N2O/c1-2-16-13(17)9-11-5-3-4-6-12(11)10-14(15)7-8-14/h3-6H,2,7-10,15H2,1H3,(H,16,17)
InChIKeyXEQXLLOSKPHUIA-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.40
Rot. Bonds5

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

2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylacetamide (PubChem CID 115039045) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylacetamide
PubChem CID115039045
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylacetamide
SMILESCCNC(=O)Cc1ccccc1CC1(N)CC1
InChIInChI=1S/C14H20N2O/c1-2-16-13(17)9-11-5-3-4-6-12(11)10-14(15)7-8-14/h3-6H,2,7-10,15H2,1H3,(H,16,17)
InChIKeyXEQXLLOSKPHUIA-UHFFFAOYSA-N
XLogP1.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.40
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)methyl]phenyl]-N-ethylacetamide?
The IUPAC name of 2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylacetamide (CID 115039045) is 2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylacetamide.
What is the SMILES notation for 2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylacetamide?
The canonical SMILES for 2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylacetamide is CCNC(=O)Cc1ccccc1CC1(N)CC1.
What is the InChIKey of 2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylacetamide?
The InChIKey is XEQXLLOSKPHUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-16-13(17)9-11-5-3-4-6-12(11)10-14(15)7-8-14/h3-6H,2,7-10,15H2,1H3,(H,16,17).
What are the key properties of 2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylacetamide?
2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylacetamide has a molecular weight of 232.33 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylacetamide is sourced from PubChem (CID 115039045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).