1-benzyl-N-methylpyrrolidin-2-amine;hydrochloride

C12H19ClN2 — CID 172758906

IUPAC1-benzyl-N-methylpyrrolidin-2-amine;hydrochloride
SMILESCNC1CCCN1Cc1ccccc1.Cl
InChIInChI=1S/C12H18N2.ClH/c1-13-12-8-5-9-14(12)10-11-6-3-2-4-7-11;/h2-4,6-7,12-13H,5,8-10H2,1H3;1H
InChIKeyLKIDQZFGORKKCZ-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.25
Rot. Bonds3

About 1-benzyl-N-methylpyrrolidin-2-amine;hydrochloride

1-benzyl-N-methylpyrrolidin-2-amine;hydrochloride (PubChem CID 172758906) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 1-benzyl-N-methylpyrrolidin-2-amine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-N-methylpyrrolidin-2-amine;hydrochloride
PubChem CID172758906
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name1-benzyl-N-methylpyrrolidin-2-amine;hydrochloride
SMILESCNC1CCCN1Cc1ccccc1.Cl
InChIInChI=1S/C12H18N2.ClH/c1-13-12-8-5-9-14(12)10-11-6-3-2-4-7-11;/h2-4,6-7,12-13H,5,8-10H2,1H3;1H
InChIKeyLKIDQZFGORKKCZ-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-methylazetidin-2-amine
CID 57429452
1-benzyl-2-ethyl-N-methylpiperidin-3-amine
CID 83850528
1-(3,3-diphenylpropyl)-N-methylpiperidin-2-amine;dihydrochloride
CID 141046563
tert-butyl N-[(2S)-1-benzylpyrrolidin-2-yl]carbamate
CID 10754954
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
1-(3,3-diphenylpropyl)-N-methylpiperidin-2-amine
CID 141046564
(2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine
CID 11715624
(1-benzylpyrrolidin-2-yl)methanediol;hydrochloride
CID 22235333
1-benzyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine;ethane
CID 123575402
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
1-benzyl-3-methylpiperidine-2-carbaldehyde
CID 100994967

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methylpyrrolidin-2-amine;hydrochloride?
The IUPAC name of 1-benzyl-N-methylpyrrolidin-2-amine;hydrochloride (CID 172758906) is 1-benzyl-N-methylpyrrolidin-2-amine;hydrochloride.
What is the SMILES notation for 1-benzyl-N-methylpyrrolidin-2-amine;hydrochloride?
The canonical SMILES for 1-benzyl-N-methylpyrrolidin-2-amine;hydrochloride is CNC1CCCN1Cc1ccccc1.Cl.
What is the InChIKey of 1-benzyl-N-methylpyrrolidin-2-amine;hydrochloride?
The InChIKey is LKIDQZFGORKKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.ClH/c1-13-12-8-5-9-14(12)10-11-6-3-2-4-7-11;/h2-4,6-7,12-13H,5,8-10H2,1H3;1H.
What are the key properties of 1-benzyl-N-methylpyrrolidin-2-amine;hydrochloride?
1-benzyl-N-methylpyrrolidin-2-amine;hydrochloride has a molecular weight of 226.75 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methylpyrrolidin-2-amine;hydrochloride is sourced from PubChem (CID 172758906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).