[1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]methanamine

C15H24N2 — CID 115311550

IUPAC[1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]methanamine
SMILESCc1ccc(C)c(C(C)N2CCCC2CN)c1
InChIInChI=1S/C15H24N2/c1-11-6-7-12(2)15(9-11)13(3)17-8-4-5-14(17)10-16/h6-7,9,13-14H,4-5,8,10,16H2,1-3H3
InChIKeyFUQUDWIUKVMWDA-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.79
Rot. Bonds3

About [1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]methanamine

[1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]methanamine (PubChem CID 115311550) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is [1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]methanamine
PubChem CID115311550
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name[1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]methanamine
SMILESCc1ccc(C)c(C(C)N2CCCC2CN)c1
InChIInChI=1S/C15H24N2/c1-11-6-7-12(2)15(9-11)13(3)17-8-4-5-14(17)10-16/h6-7,9,13-14H,4-5,8,10,16H2,1-3H3
InChIKeyFUQUDWIUKVMWDA-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 4203254
2-(2,5-dimethylphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54978141
1-[1-(2,5-dimethylphenyl)ethyl]-2-methylpiperidin-4-amine
CID 113284244
4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 113285153
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(2,5-dimethylphenyl)ethanamine
CID 102725788
1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 43130891
2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 54977741
[1-[1-(2,4-dimethylphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504410
[(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 129427489
3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 115311592
[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 113284170
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]methanamine (CID 115311550) is [1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]methanamine is Cc1ccc(C)c(C(C)N2CCCC2CN)c1.
What is the InChIKey of [1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]methanamine?
The InChIKey is FUQUDWIUKVMWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-6-7-12(2)15(9-11)13(3)17-8-4-5-14(17)10-16/h6-7,9,13-14H,4-5,8,10,16H2,1-3H3.
What are the key properties of [1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]methanamine?
[1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]methanamine has a molecular weight of 232.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115311550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).