3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine

C14H20Cl2N2O — CID 145472486

IUPAC3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine
SMILESCN.O=C(CCc1ccc(Cl)c(Cl)c1)N1CCCC1
InChIInChI=1S/C13H15Cl2NO.CH5N/c14-11-5-3-10(9-12(11)15)4-6-13(17)16-7-1-2-8-16;1-2/h3,5,9H,1-2,4,6-8H2;2H2,1H3
InChIKeyYKDXHMVBNNUMNH-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.12
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine

3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine (PubChem CID 145472486) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine
PubChem CID145472486
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine
SMILESCN.O=C(CCc1ccc(Cl)c(Cl)c1)N1CCCC1
InChIInChI=1S/C13H15Cl2NO.CH5N/c14-11-5-3-10(9-12(11)15)4-6-13(17)16-7-1-2-8-16;1-2/h3,5,9H,1-2,4,6-8H2;2H2,1H3
InChIKeyYKDXHMVBNNUMNH-UHFFFAOYSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 145472611
(3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide
CID 95154870
2-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylethanone
CID 10422618
3-[(3,4-dichlorophenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 78860526
1-(azepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 60629303
2-[(3,4-dichlorophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone
CID 17309826
4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83931253
3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 110416463
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 134061564
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 19009076
4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 110897013
1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride
CID 119379855

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine (CID 145472486) is 3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine is CN.O=C(CCc1ccc(Cl)c(Cl)c1)N1CCCC1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine?
The InChIKey is YKDXHMVBNNUMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO.CH5N/c14-11-5-3-10(9-12(11)15)4-6-13(17)16-7-1-2-8-16;1-2/h3,5,9H,1-2,4,6-8H2;2H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine?
3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine has a molecular weight of 303.23 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine is sourced from PubChem (CID 145472486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).