3-[2-(1-aminocyclopropyl)phenyl]propanamide

C12H16N2O — CID 115023620

IUPAC3-[2-(1-aminocyclopropyl)phenyl]propanamide
SMILESNC(=O)CCc1ccccc1C1(N)CC1
InChIInChI=1S/C12H16N2O/c13-11(15)6-5-9-3-1-2-4-10(9)12(14)7-8-12/h1-4H,5-8,14H2,(H2,13,15)
InChIKeyARLHJCFUKJSDBH-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.05
Rot. Bonds4

About 3-[2-(1-aminocyclopropyl)phenyl]propanamide

3-[2-(1-aminocyclopropyl)phenyl]propanamide (PubChem CID 115023620) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-[2-(1-aminocyclopropyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[2-(1-aminocyclopropyl)phenyl]propanamide
PubChem CID115023620
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-[2-(1-aminocyclopropyl)phenyl]propanamide
SMILESNC(=O)CCc1ccccc1C1(N)CC1
InChIInChI=1S/C12H16N2O/c13-11(15)6-5-9-3-1-2-4-10(9)12(14)7-8-12/h1-4H,5-8,14H2,(H2,13,15)
InChIKeyARLHJCFUKJSDBH-UHFFFAOYSA-N
XLogP1.05
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[2-(1-aminocyclopropyl)phenyl]propanoate
CID 115031368
3-[2-(1-aminocyclopropyl)phenyl]-N-cyclohexylpropanamide
CID 115055868
1-[2-(fluoromethyl)phenyl]cyclopropan-1-amine
CID 84764934
2-[2-(1-aminocyclopropyl)phenyl]-N-ethylacetamide
CID 115030861
sodium;hydride;3-(2-hydroxyphenyl)propanamide
CID 174978881
2-(3-amino-3-oxopropyl)benzoic acid
CID 19261660
3-[2-(1-hydroxycyclopropyl)phenyl]propanoic acid
CID 117114834
[2-(1-aminocyclohexyl)phenyl]urea
CID 117338838
1-[2-(aminomethyl)phenyl]cyclobutan-1-amine;formonitrile
CID 174949833
3-[2-(1-aminocyclopropyl)phenyl]-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 115055880
2-(1-aminocyclopropyl)-6-(hydroxymethyl)phenol
CID 117277965
1-[2-(2-fluoropropyl)phenyl]cyclobutan-1-amine
CID 117296596

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-aminocyclopropyl)phenyl]propanamide?
The IUPAC name of 3-[2-(1-aminocyclopropyl)phenyl]propanamide (CID 115023620) is 3-[2-(1-aminocyclopropyl)phenyl]propanamide.
What is the SMILES notation for 3-[2-(1-aminocyclopropyl)phenyl]propanamide?
The canonical SMILES for 3-[2-(1-aminocyclopropyl)phenyl]propanamide is NC(=O)CCc1ccccc1C1(N)CC1.
What is the InChIKey of 3-[2-(1-aminocyclopropyl)phenyl]propanamide?
The InChIKey is ARLHJCFUKJSDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-11(15)6-5-9-3-1-2-4-10(9)12(14)7-8-12/h1-4H,5-8,14H2,(H2,13,15).
What are the key properties of 3-[2-(1-aminocyclopropyl)phenyl]propanamide?
3-[2-(1-aminocyclopropyl)phenyl]propanamide has a molecular weight of 204.27 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-aminocyclopropyl)phenyl]propanamide is sourced from PubChem (CID 115023620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).