2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine

C16H26N2 — CID 83228040

IUPAC2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine
SMILESCCC1CCC(C)N1C(CN)c1ccccc1C
InChIInChI=1S/C16H26N2/c1-4-14-10-9-13(3)18(14)16(11-17)15-8-6-5-7-12(15)2/h5-8,13-14,16H,4,9-11,17H2,1-3H3
InChIKeyNDMXRYPOYPRYOD-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.26
Rot. Bonds4

About 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine

2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine (PubChem CID 83228040) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine
PubChem CID83228040
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine
SMILESCCC1CCC(C)N1C(CN)c1ccccc1C
InChIInChI=1S/C16H26N2/c1-4-14-10-9-13(3)18(14)16(11-17)15-8-6-5-7-12(15)2/h5-8,13-14,16H,4,9-11,17H2,1-3H3
InChIKeyNDMXRYPOYPRYOD-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(furan-2-yl)ethanamine
CID 83227946
2-(5-chloro-2-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine
CID 114843385
2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(4-ethylphenyl)ethanamine
CID 83227168
3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 83221213
(2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 51656542
2-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine
CID 83219179
2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 79182595
2-(2,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 62331932
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethanol
CID 83136214
1-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine
CID 83218854
2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine
CID 63622557
2-(4,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 62935471

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine (CID 83228040) is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine is CCC1CCC(C)N1C(CN)c1ccccc1C.
What is the InChIKey of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine?
The InChIKey is NDMXRYPOYPRYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-14-10-9-13(3)18(14)16(11-17)15-8-6-5-7-12(15)2/h5-8,13-14,16H,4,9-11,17H2,1-3H3.
What are the key properties of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine?
2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.26, 4 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)-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 83228040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).