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

C15H22N2O — CID 80556796

IUPAC2-(4-aminophenyl)-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)(C)c2ccc(N)cc2)C1
InChIInChI=1S/C15H22N2O/c1-11-8-9-17(10-11)14(18)15(2,3)12-4-6-13(16)7-5-12/h4-7,11H,8-10,16H2,1-3H3
InChIKeyMSAKSDBQELBVHV-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.41
Rot. Bonds2

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

2-(4-aminophenyl)-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one (PubChem CID 80556796) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
PubChem CID80556796
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(4-aminophenyl)-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)(C)c2ccc(N)cc2)C1
InChIInChI=1S/C15H22N2O/c1-11-8-9-17(10-11)14(18)15(2,3)12-4-6-13(16)7-5-12/h4-7,11H,8-10,16H2,1-3H3
InChIKeyMSAKSDBQELBVHV-UHFFFAOYSA-N
XLogP2.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.41
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 2-(4-aminophenyl)-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-(4-aminophenyl)-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one (CID 80556796) is 2-(4-aminophenyl)-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-aminophenyl)-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-(4-aminophenyl)-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one is CC1CCN(C(=O)C(C)(C)c2ccc(N)cc2)C1.
What is the InChIKey of 2-(4-aminophenyl)-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one?
The InChIKey is MSAKSDBQELBVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-8-9-17(10-11)14(18)15(2,3)12-4-6-13(16)7-5-12/h4-7,11H,8-10,16H2,1-3H3.
What are the key properties of 2-(4-aminophenyl)-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one?
2-(4-aminophenyl)-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 80556796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).