[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

C13H19Cl3N2 — CID 120771962

IUPAC[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(Cc2c(Cl)cccc2Cl)C1.Cl
InChIInChI=1S/C13H18Cl2N2.ClH/c1-13(8-16)5-6-17(9-13)7-10-11(14)3-2-4-12(10)15;/h2-4H,5-9,16H2,1H3;1H
InChIKeyKWLWENJCELVSGK-UHFFFAOYSA-N
MW309.67 g/mol
LogP3.59
Rot. Bonds3

About [1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120771962) has the molecular formula C13H19Cl3N2 and a molecular weight of 309.67 g/mol. Its IUPAC name is [1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120771962
Molecular FormulaC13H19Cl3N2
Molecular Weight309.67 g/mol
Exact Mass308.06
IUPAC Name[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(Cc2c(Cl)cccc2Cl)C1.Cl
InChIInChI=1S/C13H18Cl2N2.ClH/c1-13(8-16)5-6-17(9-13)7-10-11(14)3-2-4-12(10)15;/h2-4H,5-9,16H2,1H3;1H
InChIKeyKWLWENJCELVSGK-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.67
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;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

[1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773794
1-[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318678
[1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771335
[1-[(7-chloroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120773381
[1-[(3-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120846944
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
[1-[(4-bromo-3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120847005
[1-[(4-tert-butylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771872
[1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781196
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 120773885
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 120772640
[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120967311

Frequently Asked Questions

What is the IUPAC name of [1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120771962) is [1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is CC1(CN)CCN(Cc2c(Cl)cccc2Cl)C1.Cl.
What is the InChIKey of [1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is KWLWENJCELVSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2.ClH/c1-13(8-16)5-6-17(9-13)7-10-11(14)3-2-4-12(10)15;/h2-4H,5-9,16H2,1H3;1H.
What are the key properties of [1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 309.67 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120771962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).