3-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one

C14H19ClN2O2 — CID 106112107

IUPAC3-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
SMILESCOC(CN)C(=O)N1CCCC1c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-19-13(9-16)14(18)17-7-3-6-12(17)10-4-2-5-11(15)8-10/h2,4-5,8,12-13H,3,6-7,9,16H2,1H3
InChIKeyOKHFRNCYGGLANM-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.98
Rot. Bonds4

About 3-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one

3-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one (PubChem CID 106112107) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one.

Molecular Properties

Compound Name3-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
PubChem CID106112107
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
SMILESCOC(CN)C(=O)N1CCCC1c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-19-13(9-16)14(18)17-7-3-6-12(17)10-4-2-5-11(15)8-10/h2,4-5,8,12-13H,3,6-7,9,16H2,1H3
InChIKeyOKHFRNCYGGLANM-UHFFFAOYSA-N
XLogP1.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 54872576
3-amino-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-4-oxobutanamide
CID 60947054
(2R)-2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]propan-1-one;2-methylpropanenitrile
CID 145446747
[1-(aminomethyl)cyclopropyl]-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone
CID 115452869
(3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-3-(1-methoxyethoxy)-4-sulfanylidenebutanoic acid;ethane
CID 143155680
2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120986995
2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 60946946
2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 97161070
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 60949572
2-amino-3-methoxy-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120984555
N-benzyl-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide
CID 73048238
(2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 119288516

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one?
The IUPAC name of 3-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one (CID 106112107) is 3-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one.
What is the SMILES notation for 3-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one?
The canonical SMILES for 3-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one is COC(CN)C(=O)N1CCCC1c1cccc(Cl)c1.
What is the InChIKey of 3-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one?
The InChIKey is OKHFRNCYGGLANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-19-13(9-16)14(18)17-7-3-6-12(17)10-4-2-5-11(15)8-10/h2,4-5,8,12-13H,3,6-7,9,16H2,1H3.
What are the key properties of 3-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one?
3-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one has a molecular weight of 282.77 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one is sourced from PubChem (CID 106112107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).