N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride

C14H23ClN2 — CID 119905925

IUPACN-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(C(C)c2cccc(C)c2)C1.Cl
InChIInChI=1S/C14H22N2.ClH/c1-11-5-4-6-13(9-11)12(2)16-8-7-14(10-16)15-3;/h4-6,9,12,14-15H,7-8,10H2,1-3H3;1H
InChIKeyOCQGWVQLUWMPRU-UHFFFAOYSA-N
MW254.81 g/mol
LogP2.77
Rot. Bonds3

About N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride

N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 119905925) has the molecular formula C14H23ClN2 and a molecular weight of 254.81 g/mol. Its IUPAC name is N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
PubChem CID119905925
Molecular FormulaC14H23ClN2
Molecular Weight254.81 g/mol
Exact Mass254.15
IUPAC NameN-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(C(C)c2cccc(C)c2)C1.Cl
InChIInChI=1S/C14H22N2.ClH/c1-11-5-4-6-13(9-11)12(2)16-8-7-14(10-16)15-3;/h4-6,9,12,14-15H,7-8,10H2,1-3H3;1H
InChIKeyOCQGWVQLUWMPRU-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.81
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;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

N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81493085
N-methyl-1-[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922236
[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918135
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923709
1-[1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066608
1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905772
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine
CID 54965150
1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 115299885
3,3-dimethyl-1-[1-(3-methylphenyl)ethyl]piperidin-4-amine;hydrochloride
CID 120774495
N-methyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine;hydrochloride
CID 119923683
N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide
CID 113402120
1-[(1S)-1-(3-methylphenyl)ethyl]piperazine
CID 92754613

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride (CID 119905925) is N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride is CNC1CCN(C(C)c2cccc(C)c2)C1.Cl.
What is the InChIKey of N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is OCQGWVQLUWMPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.ClH/c1-11-5-4-6-13(9-11)12(2)16-8-7-14(10-16)15-3;/h4-6,9,12,14-15H,7-8,10H2,1-3H3;1H.
What are the key properties of N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride?
N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 254.81 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119905925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).