2-(2,5-dimethylphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine

C16H26N2 — CID 54978141

IUPAC2-(2,5-dimethylphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
SMILESCCC1CCCN1C(CN)c1cc(C)ccc1C
InChIInChI=1S/C16H26N2/c1-4-14-6-5-9-18(14)16(11-17)15-10-12(2)7-8-13(15)3/h7-8,10,14,16H,4-6,9,11,17H2,1-3H3
InChIKeyRTCYLLJHASCPGS-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.18
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine

2-(2,5-dimethylphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine (PubChem CID 54978141) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
PubChem CID54978141
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(2,5-dimethylphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
SMILESCCC1CCCN1C(CN)c1cc(C)ccc1C
InChIInChI=1S/C16H26N2/c1-4-14-6-5-9-18(14)16(11-17)15-10-12(2)7-8-13(15)3/h7-8,10,14,16H,4-6,9,11,17H2,1-3H3
InChIKeyRTCYLLJHASCPGS-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(2,5-dimethylphenyl)ethanamine
CID 102725788
2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 54977741
[1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 115311550
2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 104689217
2-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 60974674
2-(3-bromo-4-methylphenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 105405177
2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62199615
2-(1-benzothiophen-3-yl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 62699247
2-(2-ethylpyrrolidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine
CID 63052117
2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54882963
2-(2-ethylpiperidin-1-yl)-2-phenylethanamine
CID 43266409
2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 43266345

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine (CID 54978141) is 2-(2,5-dimethylphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine is CCC1CCCN1C(CN)c1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
The InChIKey is RTCYLLJHASCPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-14-6-5-9-18(14)16(11-17)15-10-12(2)7-8-13(15)3/h7-8,10,14,16H,4-6,9,11,17H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
2-(2,5-dimethylphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 54978141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).