3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride

C14H22ClN3O — CID 119928553

IUPAC3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride
SMILESCNCC1CCCN1Cc1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-16-9-13-6-3-7-17(13)10-11-4-2-5-12(8-11)14(15)18;/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3,(H2,15,18);1H
InChIKeyRSKQBHMCJLADQS-UHFFFAOYSA-N
MW283.80 g/mol
LogP1.39
Rot. Bonds5

About 3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride

3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride (PubChem CID 119928553) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride
PubChem CID119928553
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride
SMILESCNCC1CCCN1Cc1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-16-9-13-6-3-7-17(13)10-11-4-2-5-12(8-11)14(15)18;/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3,(H2,15,18);1H
InChIKeyRSKQBHMCJLADQS-UHFFFAOYSA-N
XLogP1.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 63249745
tert-butyl N-[[(2S)-1-[(3-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate
CID 94375785
3-[(1-benzylpyrrolidin-2-yl)methylcarbamoylamino]benzamide
CID 136525958
N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119928485
3-[[(2S)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidin-1-yl]methyl]benzamide
CID 97011036
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119911778
methyl 3-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzoate
CID 62734235
1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55138843
3-[[2-(2-methylpropyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122028646
N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine
CID 63249708
1-[1-[(3-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 120842701
3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzohydrazide
CID 55214436

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride?
The IUPAC name of 3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride (CID 119928553) is 3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride?
The canonical SMILES for 3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride is CNCC1CCCN1Cc1cccc(C(N)=O)c1.Cl.
What is the InChIKey of 3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride?
The InChIKey is RSKQBHMCJLADQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.ClH/c1-16-9-13-6-3-7-17(13)10-11-4-2-5-12(8-11)14(15)18;/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3,(H2,15,18);1H.
What are the key properties of 3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride?
3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 119928553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).