3-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride

C14H20Cl2N2O — CID 119721633

IUPAC3-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
SMILESCC(N)CC(=O)N1CCCC1c1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H19ClN2O.ClH/c1-10(16)9-14(18)17-8-2-3-13(17)11-4-6-12(15)7-5-11;/h4-7,10,13H,2-3,8-9,16H2,1H3;1H
InChIKeyBAMXXKGUAYOMIB-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.16
Rot. Bonds3

About 3-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride

3-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride (PubChem CID 119721633) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 3-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
PubChem CID119721633
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name3-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
SMILESCC(N)CC(=O)N1CCCC1c1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H19ClN2O.ClH/c1-10(16)9-14(18)17-8-2-3-13(17)11-4-6-12(15)7-5-11;/h4-7,10,13H,2-3,8-9,16H2,1H3;1H
InChIKeyBAMXXKGUAYOMIB-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119704820
2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288410
1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119721619
3-amino-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 119700980
1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747298
(2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 51694827
(2S)-2-amino-1-[2-(4-chlorophenyl)azepan-1-yl]propan-1-one
CID 119328712
3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
CID 110871522
2-(4-chlorophenyl)-1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 94457878
1-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 94041150
2-methoxy-1-[(2R)-2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]ethanone
CID 124514038
3-amino-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119949824

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride (CID 119721633) is 3-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride is CC(N)CC(=O)N1CCCC1c1ccc(Cl)cc1.Cl.
What is the InChIKey of 3-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride?
The InChIKey is BAMXXKGUAYOMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O.ClH/c1-10(16)9-14(18)17-8-2-3-13(17)11-4-6-12(15)7-5-11;/h4-7,10,13H,2-3,8-9,16H2,1H3;1H.
What are the key properties of 3-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride?
3-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 303.23 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119721633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).