4-[2-(2-ethylpyrrolidin-1-yl)ethyl]aniline

C14H22N2 — CID 60974787

IUPAC4-[2-(2-ethylpyrrolidin-1-yl)ethyl]aniline
SMILESCCC1CCCN1CCc1ccc(N)cc1
InChIInChI=1S/C14H22N2/c1-2-14-4-3-10-16(14)11-9-12-5-7-13(15)8-6-12/h5-8,14H,2-4,9-11,15H2,1H3
InChIKeyHRNXLQBAVFAXIG-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.69
Rot. Bonds4

About 4-[2-(2-ethylpyrrolidin-1-yl)ethyl]aniline

4-[2-(2-ethylpyrrolidin-1-yl)ethyl]aniline (PubChem CID 60974787) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-[2-(2-ethylpyrrolidin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name4-[2-(2-ethylpyrrolidin-1-yl)ethyl]aniline
PubChem CID60974787
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-[2-(2-ethylpyrrolidin-1-yl)ethyl]aniline
SMILESCCC1CCCN1CCc1ccc(N)cc1
InChIInChI=1S/C14H22N2/c1-2-14-4-3-10-16(14)11-9-12-5-7-13(15)8-6-12/h5-8,14H,2-4,9-11,15H2,1H3
InChIKeyHRNXLQBAVFAXIG-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-ethylazepan-1-yl)ethyl]aniline
CID 104688951
4-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 59299936
[1-[2-(4-aminophenyl)ethyl]azepan-2-yl]methanol
CID 116634212
6-[2-(2-ethylpyrrolidin-1-yl)ethyl]pyridin-3-amine
CID 107340071
2-[1-[2-(4-aminophenyl)ethyl]piperidin-2-yl]ethanol
CID 43519577
4-[3-(2-methylpyrrolidin-1-yl)propyl]aniline
CID 115341800
4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline
CID 79303507
[(2S)-1-[2-(4-dodecylphenyl)ethyl]pyrrolidin-2-yl]methanol
CID 72735622
4-(2-ethylpyrrolidin-1-yl)aniline
CID 60973731
4-[2-[(5R)-2,2-dideuterio-5-(deuteriomethyl)pyrrolidin-1-yl]ethyl]aniline
CID 87901391
4-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]aniline
CID 79941257
1-[2-(2-ethylpyrrolidin-1-yl)ethyl]pyrazol-3-amine
CID 63318334

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethylpyrrolidin-1-yl)ethyl]aniline?
The IUPAC name of 4-[2-(2-ethylpyrrolidin-1-yl)ethyl]aniline (CID 60974787) is 4-[2-(2-ethylpyrrolidin-1-yl)ethyl]aniline.
What is the SMILES notation for 4-[2-(2-ethylpyrrolidin-1-yl)ethyl]aniline?
The canonical SMILES for 4-[2-(2-ethylpyrrolidin-1-yl)ethyl]aniline is CCC1CCCN1CCc1ccc(N)cc1.
What is the InChIKey of 4-[2-(2-ethylpyrrolidin-1-yl)ethyl]aniline?
The InChIKey is HRNXLQBAVFAXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-14-4-3-10-16(14)11-9-12-5-7-13(15)8-6-12/h5-8,14H,2-4,9-11,15H2,1H3.
What are the key properties of 4-[2-(2-ethylpyrrolidin-1-yl)ethyl]aniline?
4-[2-(2-ethylpyrrolidin-1-yl)ethyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethylpyrrolidin-1-yl)ethyl]aniline is sourced from PubChem (CID 60974787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).