2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride

C15H23ClN2O2 — CID 120986995

IUPAC2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
SMILESCOCC(N)C(=O)N1CCCC1c1cccc(C)c1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11-5-3-6-12(9-11)14-7-4-8-17(14)15(18)13(16)10-19-2;/h3,5-6,9,13-14H,4,7-8,10,16H2,1-2H3;1H
InChIKeyUMJLTUSLZWNDCA-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.05
Rot. Bonds4

About 2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride

2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride (PubChem CID 120986995) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
PubChem CID120986995
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
SMILESCOCC(N)C(=O)N1CCCC1c1cccc(C)c1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11-5-3-6-12(9-11)14-7-4-8-17(14)15(18)13(16)10-19-2;/h3,5-6,9,13-14H,4,7-8,10,16H2,1-2H3;1H
InChIKeyUMJLTUSLZWNDCA-UHFFFAOYSA-N
XLogP2.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methoxy-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120984555
(2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 119288516
2-amino-3-methoxy-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 81082575
2,3-dihydroxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-one
CID 143154677
2-amino-3-methoxy-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120984461
2-amino-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120984568
2-chloro-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166174148
2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one
CID 60939455
(2,6-dimethoxyphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 50747261
3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 83629742
4-amino-3-methoxy-1-[2-(3-methylphenyl)azepan-1-yl]butan-1-one
CID 120592694
3-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
CID 106112107

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride (CID 120986995) is 2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride is COCC(N)C(=O)N1CCCC1c1cccc(C)c1.Cl.
What is the InChIKey of 2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is UMJLTUSLZWNDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-11-5-3-6-12(9-11)14-7-4-8-17(14)15(18)13(16)10-19-2;/h3,5-6,9,13-14H,4,7-8,10,16H2,1-2H3;1H.
What are the key properties of 2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 120986995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).