[2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanamine

C15H24N2 — CID 107926317

IUPAC[2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanamine
SMILESCCC1CCC(C)N1c1ccc(C)cc1CN
InChIInChI=1S/C15H24N2/c1-4-14-7-6-12(3)17(14)15-8-5-11(2)9-13(15)10-16/h5,8-9,12,14H,4,6-7,10,16H2,1-3H3
InChIKeySGJXLSCOGNOOON-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.22
Rot. Bonds3

About [2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanamine

[2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanamine (PubChem CID 107926317) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is [2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanamine
PubChem CID107926317
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name[2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanamine
SMILESCCC1CCC(C)N1c1ccc(C)cc1CN
InChIInChI=1S/C15H24N2/c1-4-14-7-6-12(3)17(14)15-8-5-11(2)9-13(15)10-16/h5,8-9,12,14H,4,6-7,10,16H2,1-3H3
InChIKeySGJXLSCOGNOOON-UHFFFAOYSA-N
XLogP3.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanamine?
The IUPAC name of [2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanamine (CID 107926317) is [2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanamine.
What is the SMILES notation for [2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanamine?
The canonical SMILES for [2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanamine is CCC1CCC(C)N1c1ccc(C)cc1CN.
What is the InChIKey of [2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanamine?
The InChIKey is SGJXLSCOGNOOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-14-7-6-12(3)17(14)15-8-5-11(2)9-13(15)10-16/h5,8-9,12,14H,4,6-7,10,16H2,1-3H3.
What are the key properties of [2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanamine?
[2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanamine has a molecular weight of 232.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanamine is sourced from PubChem (CID 107926317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).