2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one

C18H28N2O — CID 79310738

IUPAC2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
SMILESCCN1CCCC1CN(C)C(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C18H28N2O/c1-5-20-12-6-7-17(20)13-19(4)15(3)18(21)16-10-8-14(2)9-11-16/h8-11,15,17H,5-7,12-13H2,1-4H3
InChIKeyHFWZPXRNHOELHJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.98
Rot. Bonds6

About 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one

2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one (PubChem CID 79310738) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
PubChem CID79310738
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
SMILESCCN1CCCC1CN(C)C(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C18H28N2O/c1-5-20-12-6-7-17(20)13-19(4)15(3)18(21)16-10-8-14(2)9-11-16/h8-11,15,17H,5-7,12-13H2,1-4H3
InChIKeyHFWZPXRNHOELHJ-UHFFFAOYSA-N
XLogP2.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propan-1-one
CID 79310497
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one
CID 63273720
1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-one
CID 79310466
[4-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]-(4-methylphenyl)methanone
CID 152601566
1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
CID 63207733
(2R)-N-(1-benzylpiperidin-4-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]propanamide
CID 98791947
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanimidamide
CID 79313935
ethyl 2-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentanoate
CID 79309508
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
CID 79672225
1-(2,4-dimethylphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79308718
4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide
CID 79314706
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 79302990

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one (CID 79310738) is 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one is CCN1CCCC1CN(C)C(C)C(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one?
The InChIKey is HFWZPXRNHOELHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-20-12-6-7-17(20)13-19(4)15(3)18(21)16-10-8-14(2)9-11-16/h8-11,15,17H,5-7,12-13H2,1-4H3.
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one?
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one has a molecular weight of 288.44 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 79310738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).