3-(1-ethylpyrrolidin-3-yl)aniline

C12H18N2 — CID 46941945

IUPAC3-(1-ethylpyrrolidin-3-yl)aniline
SMILESCCN1CCC(c2cccc(N)c2)C1
InChIInChI=1S/C12H18N2/c1-2-14-7-6-11(9-14)10-4-3-5-12(13)8-10/h3-5,8,11H,2,6-7,9,13H2,1H3
InChIKeyMFRGBTHJWLOYNM-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.08
Rot. Bonds2

About 3-(1-ethylpyrrolidin-3-yl)aniline

3-(1-ethylpyrrolidin-3-yl)aniline (PubChem CID 46941945) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-(1-ethylpyrrolidin-3-yl)aniline.

Molecular Properties

Compound Name3-(1-ethylpyrrolidin-3-yl)aniline
PubChem CID46941945
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3-(1-ethylpyrrolidin-3-yl)aniline
SMILESCCN1CCC(c2cccc(N)c2)C1
InChIInChI=1S/C12H18N2/c1-2-14-7-6-11(9-14)10-4-3-5-12(13)8-10/h3-5,8,11H,2,6-7,9,13H2,1H3
InChIKeyMFRGBTHJWLOYNM-UHFFFAOYSA-N
XLogP2.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[1-(4-aminobutyl)piperidin-4-yl]aniline
CID 54467762
3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine
CID 55004205
(3S)-1-ethyl-3-(3-methoxyphenyl)piperidine
CID 22856997
6-(1-ethylpyrrolidin-3-yl)pyridazin-3-amine
CID 117105070
1-[4-(3-aminophenyl)piperidin-1-yl]-2-(dimethylamino)ethanone
CID 68678854
3-cycloheptylaniline
CID 22019641
2-methyl-1-[3-(3-methylphenyl)pyrrolidin-1-yl]propan-2-amine;hydrochloride
CID 120851281
1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 57299449
1-(3-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]methanesulfonamide
CID 60855317
methyl 3-[(3S)-1-ethylpiperidin-3-yl]benzoate
CID 22856993
1-(3-aminophenyl)-4-ethylpiperazine-2-carbaldehyde
CID 174644595
(3R,4R)-1-ethyl-3-(3-methylphenyl)-4-phenylpiperidine
CID 129373468

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrrolidin-3-yl)aniline?
The IUPAC name of 3-(1-ethylpyrrolidin-3-yl)aniline (CID 46941945) is 3-(1-ethylpyrrolidin-3-yl)aniline.
What is the SMILES notation for 3-(1-ethylpyrrolidin-3-yl)aniline?
The canonical SMILES for 3-(1-ethylpyrrolidin-3-yl)aniline is CCN1CCC(c2cccc(N)c2)C1.
What is the InChIKey of 3-(1-ethylpyrrolidin-3-yl)aniline?
The InChIKey is MFRGBTHJWLOYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-14-7-6-11(9-14)10-4-3-5-12(13)8-10/h3-5,8,11H,2,6-7,9,13H2,1H3.
What are the key properties of 3-(1-ethylpyrrolidin-3-yl)aniline?
3-(1-ethylpyrrolidin-3-yl)aniline has a molecular weight of 190.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrrolidin-3-yl)aniline is sourced from PubChem (CID 46941945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).