2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine

C14H22N2 — CID 16642717

IUPAC2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine
SMILESCCc1ccc(C(CN)N2CCCC2)cc1
InChIInChI=1S/C14H22N2/c1-2-12-5-7-13(8-6-12)14(11-15)16-9-3-4-10-16/h5-8,14H,2-4,9-11,15H2,1H3
InChIKeyQCGLRNJIKPUVEA-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.34
Rot. Bonds4

About 2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine

2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 16642717) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine
PubChem CID16642717
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine
SMILESCCc1ccc(C(CN)N2CCCC2)cc1
InChIInChI=1S/C14H22N2/c1-2-12-5-7-13(8-6-12)14(11-15)16-9-3-4-10-16/h5-8,14H,2-4,9-11,15H2,1H3
InChIKeyQCGLRNJIKPUVEA-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine (CID 16642717) is 2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine is CCc1ccc(C(CN)N2CCCC2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is QCGLRNJIKPUVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-12-5-7-13(8-6-12)14(11-15)16-9-3-4-10-16/h5-8,14H,2-4,9-11,15H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine?
2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 16642717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).