[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine

C15H24N2 — CID 83227678

IUPAC[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
SMILESCCC1CCC(C)N1Cc1cccc(CN)c1
InChIInChI=1S/C15H24N2/c1-3-15-8-7-12(2)17(15)11-14-6-4-5-13(9-14)10-16/h4-6,9,12,15H,3,7-8,10-11,16H2,1-2H3
InChIKeyKJBFCSDNZCBDOW-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.91
Rot. Bonds4

About [3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine

[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine (PubChem CID 83227678) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is [3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
PubChem CID83227678
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
SMILESCCC1CCC(C)N1Cc1cccc(CN)c1
InChIInChI=1S/C15H24N2/c1-3-15-8-7-12(2)17(15)11-14-6-4-5-13(9-14)10-16/h4-6,9,12,15H,3,7-8,10-11,16H2,1-2H3
InChIKeyKJBFCSDNZCBDOW-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]methanamine
CID 83227064
N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 83221641
[6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]methanamine
CID 83221720
5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline
CID 83227764
4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyridine-2-carbothioamide
CID 83227298
1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine
CID 83220677
[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
CID 83219044
1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol
CID 83227590
2-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine
CID 83218867
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]aniline
CID 83227586
(2R,5S)-1,2-dibenzyl-5-methylpyrrolidine
CID 101143886
1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine
CID 146164632

Frequently Asked Questions

What is the IUPAC name of [3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine (CID 83227678) is [3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine is CCC1CCC(C)N1Cc1cccc(CN)c1.
What is the InChIKey of [3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine?
The InChIKey is KJBFCSDNZCBDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-15-8-7-12(2)17(15)11-14-6-4-5-13(9-14)10-16/h4-6,9,12,15H,3,7-8,10-11,16H2,1-2H3.
What are the key properties of [3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine?
[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine has a molecular weight of 232.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 83227678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).