3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride

C16H25ClN2O2 — CID 120500295

IUPAC3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride
SMILESCOc1ccccc1C1CCCN1C(=O)C(C)C(C)N.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11(12(2)17)16(19)18-10-6-8-14(18)13-7-4-5-9-15(13)20-3;/h4-5,7,9,11-12,14H,6,8,10,17H2,1-3H3;1H
InChIKeyIORGZPUXEOLHJQ-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.76
Rot. Bonds4

About 3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride

3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride (PubChem CID 120500295) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride
PubChem CID120500295
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride
SMILESCOc1ccccc1C1CCCN1C(=O)C(C)C(C)N.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11(12(2)17)16(19)18-10-6-8-14(18)13-7-4-5-9-15(13)20-3;/h4-5,7,9,11-12,14H,6,8,10,17H2,1-3H3;1H
InChIKeyIORGZPUXEOLHJQ-UHFFFAOYSA-N
XLogP2.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119771470
4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one
CID 120562159
(3-aminocyclopentyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119771459
3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119951145
[(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 124686929
2-chloro-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 176997579
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 83625391
[4-(aminomethyl)phenyl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 119316524
[2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
CID 77087483
(2S)-2-amino-1-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propan-1-one
CID 124568245
(2R)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine
CID 124500768
(2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine
CID 124500769

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride (CID 120500295) is 3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride is COc1ccccc1C1CCCN1C(=O)C(C)C(C)N.Cl.
What is the InChIKey of 3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride?
The InChIKey is IORGZPUXEOLHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-11(12(2)17)16(19)18-10-6-8-14(18)13-7-4-5-9-15(13)20-3;/h4-5,7,9,11-12,14H,6,8,10,17H2,1-3H3;1H.
What are the key properties of 3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride?
3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.76, 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-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride is sourced from PubChem (CID 120500295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).