[3-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine

C15H24N2 — CID 120773709

IUPAC[3-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine
SMILESCc1ccc(CCN2CCC(C)(CN)C2)cc1
InChIInChI=1S/C15H24N2/c1-13-3-5-14(6-4-13)7-9-17-10-8-15(2,11-16)12-17/h3-6H,7-12,16H2,1-2H3
InChIKeyLKAJZHDAFGZPQC-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.21
Rot. Bonds4

About [3-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine

[3-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine (PubChem CID 120773709) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is [3-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine
PubChem CID120773709
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name[3-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine
SMILESCc1ccc(CCN2CCC(C)(CN)C2)cc1
InChIInChI=1S/C15H24N2/c1-13-3-5-14(6-4-13)7-9-17-10-8-15(2,11-16)12-17/h3-6H,7-12,16H2,1-2H3
InChIKeyLKAJZHDAFGZPQC-UHFFFAOYSA-N
XLogP2.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-methyl-1-(2-naphthalen-2-ylethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120772336
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 120807583
3,3-dimethyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine;hydrochloride
CID 120776449
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
N-methyl-1-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
CID 106318668
[1-[(4-tert-butylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771872
[1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780449
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide;hydrochloride
CID 120772245
[1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771335
[3-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
CID 120771845
[4-methyl-1-(3-phenylpropyl)piperidin-4-yl]methanamine
CID 107160658
[1-[(4-bromo-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780404

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [3-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine (CID 120773709) is [3-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine is Cc1ccc(CCN2CCC(C)(CN)C2)cc1.
What is the InChIKey of [3-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine?
The InChIKey is LKAJZHDAFGZPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-3-5-14(6-4-13)7-9-17-10-8-15(2,11-16)12-17/h3-6H,7-12,16H2,1-2H3.
What are the key properties of [3-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine?
[3-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine has a molecular weight of 232.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120773709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).