3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one

C16H24N2O — CID 120610961

IUPAC3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one
SMILESCCC1CC(C)CN1C(=O)CCc1ccccc1N
InChIInChI=1S/C16H24N2O/c1-3-14-10-12(2)11-18(14)16(19)9-8-13-6-4-5-7-15(13)17/h4-7,12,14H,3,8-11,17H2,1-2H3
InChIKeyDLCPSPNWTLTFTL-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.85
Rot. Bonds4

About 3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one

3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one (PubChem CID 120610961) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one
PubChem CID120610961
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one
SMILESCCC1CC(C)CN1C(=O)CCc1ccccc1N
InChIInChI=1S/C16H24N2O/c1-3-14-10-12(2)11-18(14)16(19)9-8-13-6-4-5-7-15(13)17/h4-7,12,14H,3,8-11,17H2,1-2H3
InChIKeyDLCPSPNWTLTFTL-UHFFFAOYSA-N
XLogP2.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one (CID 120610961) is 3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one is CCC1CC(C)CN1C(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one?
The InChIKey is DLCPSPNWTLTFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-14-10-12(2)11-18(14)16(19)9-8-13-6-4-5-7-15(13)17/h4-7,12,14H,3,8-11,17H2,1-2H3.
What are the key properties of 3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one?
3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 120610961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).