1-[4-[methyl(2-pyrrolidin-3-ylethyl)amino]phenyl]ethanone

C15H22N2O — CID 117029580

IUPAC1-[4-[methyl(2-pyrrolidin-3-ylethyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)CCC2CCNC2)cc1
InChIInChI=1S/C15H22N2O/c1-12(18)14-3-5-15(6-4-14)17(2)10-8-13-7-9-16-11-13/h3-6,13,16H,7-11H2,1-2H3
InChIKeyWWUNQPCPMUKMRM-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.33
Rot. Bonds5

About 1-[4-[methyl(2-pyrrolidin-3-ylethyl)amino]phenyl]ethanone

1-[4-[methyl(2-pyrrolidin-3-ylethyl)amino]phenyl]ethanone (PubChem CID 117029580) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[4-[methyl(2-pyrrolidin-3-ylethyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[methyl(2-pyrrolidin-3-ylethyl)amino]phenyl]ethanone
PubChem CID117029580
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[4-[methyl(2-pyrrolidin-3-ylethyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)CCC2CCNC2)cc1
InChIInChI=1S/C15H22N2O/c1-12(18)14-3-5-15(6-4-14)17(2)10-8-13-7-9-16-11-13/h3-6,13,16H,7-11H2,1-2H3
InChIKeyWWUNQPCPMUKMRM-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[cyclopropylmethyl(methyl)amino]phenyl]ethanone
CID 60967715
4-[2-cyclohexylethyl(methyl)amino]benzoic acid
CID 58347543
6-[methyl(2-pyrrolidin-3-ylethyl)amino]-3H-1,3-benzoxazol-2-one
CID 115210689
N-methyl-N-(2-pyrrolidin-3-ylethyl)hydroxylamine
CID 105428686
N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119554876
N,2-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-6-amine
CID 115210683
2-[(3R,4S)-3-[2-(4-fluoro-N-methylanilino)ethyl]piperidin-4-yl]acetic acid
CID 77059007
4-[ethyl(propyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119533737
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
N-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide
CID 119444660
4-ethyl-N-methyl-N-(3-piperidin-3-ylpropyl)aniline
CID 62003228
N-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide
CID 106935104

Frequently Asked Questions

What is the IUPAC name of 1-[4-[methyl(2-pyrrolidin-3-ylethyl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[methyl(2-pyrrolidin-3-ylethyl)amino]phenyl]ethanone (CID 117029580) is 1-[4-[methyl(2-pyrrolidin-3-ylethyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[methyl(2-pyrrolidin-3-ylethyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[methyl(2-pyrrolidin-3-ylethyl)amino]phenyl]ethanone is CC(=O)c1ccc(N(C)CCC2CCNC2)cc1.
What is the InChIKey of 1-[4-[methyl(2-pyrrolidin-3-ylethyl)amino]phenyl]ethanone?
The InChIKey is WWUNQPCPMUKMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(18)14-3-5-15(6-4-14)17(2)10-8-13-7-9-16-11-13/h3-6,13,16H,7-11H2,1-2H3.
What are the key properties of 1-[4-[methyl(2-pyrrolidin-3-ylethyl)amino]phenyl]ethanone?
1-[4-[methyl(2-pyrrolidin-3-ylethyl)amino]phenyl]ethanone has a molecular weight of 246.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[methyl(2-pyrrolidin-3-ylethyl)amino]phenyl]ethanone is sourced from PubChem (CID 117029580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).