2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenylbutan-1-one

C17H26N2O — CID 63207872

IUPAC2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenylbutan-1-one
SMILESCCC(C(=O)c1ccccc1)N(C)CCN1CCCC1
InChIInChI=1S/C17H26N2O/c1-3-16(17(20)15-9-5-4-6-10-15)18(2)13-14-19-11-7-8-12-19/h4-6,9-10,16H,3,7-8,11-14H2,1-2H3
InChIKeyBJKNLDAYWQIQRC-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.68
Rot. Bonds7

About 2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenylbutan-1-one

2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenylbutan-1-one (PubChem CID 63207872) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenylbutan-1-one.

Molecular Properties

Compound Name2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenylbutan-1-one
PubChem CID63207872
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenylbutan-1-one
SMILESCCC(C(=O)c1ccccc1)N(C)CCN1CCCC1
InChIInChI=1S/C17H26N2O/c1-3-16(17(20)15-9-5-4-6-10-15)18(2)13-14-19-11-7-8-12-19/h4-6,9-10,16H,3,7-8,11-14H2,1-2H3
InChIKeyBJKNLDAYWQIQRC-UHFFFAOYSA-N
XLogP2.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
CID 63207733
1-(4-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
CID 63207477
2-N-methyl-1-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206567
2-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one
CID 61432396
N-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 88546944
2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid
CID 64661581
2-[(4-chlorophenyl)methyl-methylamino]-1-phenylbutan-1-one
CID 62037391
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one
CID 112662034
2-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(4-methylsulfanylphenyl)acetic acid
CID 72917030
1-phenyl-2-(4-pyrrolidin-1-ylbutylamino)propan-1-one
CID 82100069
(2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 104897872

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenylbutan-1-one?
The IUPAC name of 2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenylbutan-1-one (CID 63207872) is 2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenylbutan-1-one.
What is the SMILES notation for 2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenylbutan-1-one?
The canonical SMILES for 2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenylbutan-1-one is CCC(C(=O)c1ccccc1)N(C)CCN1CCCC1.
What is the InChIKey of 2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenylbutan-1-one?
The InChIKey is BJKNLDAYWQIQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-16(17(20)15-9-5-4-6-10-15)18(2)13-14-19-11-7-8-12-19/h4-6,9-10,16H,3,7-8,11-14H2,1-2H3.
What are the key properties of 2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenylbutan-1-one?
2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenylbutan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenylbutan-1-one is sourced from PubChem (CID 63207872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).