1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one

C17H26N2O — CID 63207733

IUPAC1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
SMILESCc1ccc(C(=O)C(C)N(C)CCN2CCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-14-6-8-16(9-7-14)17(20)15(2)18(3)12-13-19-10-4-5-11-19/h6-9,15H,4-5,10-13H2,1-3H3
InChIKeyAXVPIBHORVHLLZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.59
Rot. Bonds6

About 1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one

1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one (PubChem CID 63207733) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
PubChem CID63207733
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
SMILESCc1ccc(C(=O)C(C)N(C)CCN2CCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-14-6-8-16(9-7-14)17(20)15(2)18(3)12-13-19-10-4-5-11-19/h6-9,15H,4-5,10-13H2,1-3H3
InChIKeyAXVPIBHORVHLLZ-UHFFFAOYSA-N
XLogP2.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
CID 63207477
2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 61427109
2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenylbutan-1-one
CID 63207872
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one
CID 63273720
2-[methyl-[1-(4-methylphenyl)-1-oxopropan-2-yl]amino]acetic acid
CID 82476146
2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 114950447
4-methyl-2-[1-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]phenol
CID 82979913
N-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 131950645
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 79310738
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one
CID 62035251
1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 3024978
1-pyrrolidin-1-ylpropan-2-yl 4-methylbenzoate
CID 3152959

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one?
The IUPAC name of 1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one (CID 63207733) is 1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one?
The canonical SMILES for 1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one is Cc1ccc(C(=O)C(C)N(C)CCN2CCCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one?
The InChIKey is AXVPIBHORVHLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-6-8-16(9-7-14)17(20)15(2)18(3)12-13-19-10-4-5-11-19/h6-9,15H,4-5,10-13H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one?
1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one is sourced from PubChem (CID 63207733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).