1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride

C14H21ClN2O — CID 119259854

IUPAC1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
SMILESCNC1CCN(C(=O)Cc2ccccc2C)C1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-11-5-3-4-6-12(11)9-14(17)16-8-7-13(10-16)15-2;/h3-6,13,15H,7-10H2,1-2H3;1H
InChIKeyRFEARJQVRMCHSL-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.78
Rot. Bonds3

About 1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride

1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride (PubChem CID 119259854) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
PubChem CID119259854
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
SMILESCNC1CCN(C(=O)Cc2ccccc2C)C1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-11-5-3-4-6-12(11)9-14(17)16-8-7-13(10-16)15-2;/h3-6,13,15H,7-10H2,1-2H3;1H
InChIKeyRFEARJQVRMCHSL-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]urea
CID 71985156
methyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate
CID 113226248
2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 83749694
1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride
CID 119164426
2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 80740895
2-(2,6-difluorophenyl)-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119413951
2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260723
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
methyl 1-[2-(2-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919146
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 50823468
1-[4-(methylamino)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride
CID 119560104

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride?
The IUPAC name of 1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride (CID 119259854) is 1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride?
The canonical SMILES for 1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride is CNC1CCN(C(=O)Cc2ccccc2C)C1.Cl.
What is the InChIKey of 1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride?
The InChIKey is RFEARJQVRMCHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-11-5-3-4-6-12(11)9-14(17)16-8-7-13(10-16)15-2;/h3-6,13,15H,7-10H2,1-2H3;1H.
What are the key properties of 1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride?
1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride is sourced from PubChem (CID 119259854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).