1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride

C15H23ClN2O — CID 119260619

IUPAC1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCNCC1CCN(C(=O)CCc2ccccc2)C1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-16-11-14-9-10-17(12-14)15(18)8-7-13-5-3-2-4-6-13;/h2-6,14,16H,7-12H2,1H3;1H
InChIKeyOEDHBDPBOGALMM-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.11
Rot. Bonds5

About 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride

1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride (PubChem CID 119260619) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
PubChem CID119260619
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCNCC1CCN(C(=O)CCc2ccccc2)C1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-16-11-14-9-10-17(12-14)15(18)8-7-13-5-3-2-4-6-13;/h2-6,14,16H,7-12H2,1H3;1H
InChIKeyOEDHBDPBOGALMM-UHFFFAOYSA-N
XLogP2.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119541459
3-(3-bromophenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119540605
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 55168474
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241645
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 114801409
1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78981202
N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 119540335
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone;hydrochloride
CID 119538911
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one;hydrochloride
CID 119538394
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 119541842
1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one
CID 124613138

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride (CID 119260619) is 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride is CNCC1CCN(C(=O)CCc2ccccc2)C1.Cl.
What is the InChIKey of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The InChIKey is OEDHBDPBOGALMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-16-11-14-9-10-17(12-14)15(18)8-7-13-5-3-2-4-6-13;/h2-6,14,16H,7-12H2,1H3;1H.
What are the key properties of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride?
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 119260619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).