4-(2-ethylpyrrolidin-1-yl)-2-methylaniline

C13H20N2 — CID 60974665

IUPAC4-(2-ethylpyrrolidin-1-yl)-2-methylaniline
SMILESCCC1CCCN1c1ccc(N)c(C)c1
InChIInChI=1S/C13H20N2/c1-3-11-5-4-8-15(11)12-6-7-13(14)10(2)9-12/h6-7,9,11H,3-5,8,14H2,1-2H3
InChIKeyGQUAYFYGGMZJLK-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.96
Rot. Bonds2

About 4-(2-ethylpyrrolidin-1-yl)-2-methylaniline

4-(2-ethylpyrrolidin-1-yl)-2-methylaniline (PubChem CID 60974665) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-(2-ethylpyrrolidin-1-yl)-2-methylaniline.

Molecular Properties

Compound Name4-(2-ethylpyrrolidin-1-yl)-2-methylaniline
PubChem CID60974665
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-(2-ethylpyrrolidin-1-yl)-2-methylaniline
SMILESCCC1CCCN1c1ccc(N)c(C)c1
InChIInChI=1S/C13H20N2/c1-3-11-5-4-8-15(11)12-6-7-13(14)10(2)9-12/h6-7,9,11H,3-5,8,14H2,1-2H3
InChIKeyGQUAYFYGGMZJLK-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.96
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

4-(2-ethylazepan-1-yl)-2-methylaniline
CID 104688805
2-[1-(4-amino-3-methylphenyl)piperidin-2-yl]ethanol
CID 43436167
[4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol
CID 62134365
4-(2-ethylpyrrolidin-1-yl)-2-methylbenzenecarbothioamide
CID 81275990
4-(2-ethylpyrrolidin-1-yl)aniline
CID 60973731
[4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine
CID 104688921
2-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 43384883
4-(2-ethylpiperidin-1-yl)-2-methylbenzaldehyde
CID 55038666
4-(2-ethylazepan-1-yl)-2-methylbenzaldehyde
CID 104690453
N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 104690769
5-(2-ethylpyrrolidin-1-yl)pyridin-2-amine
CID 60973489
2-ethyl-1-(4-methylphenyl)piperidine
CID 90712958

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrrolidin-1-yl)-2-methylaniline?
The IUPAC name of 4-(2-ethylpyrrolidin-1-yl)-2-methylaniline (CID 60974665) is 4-(2-ethylpyrrolidin-1-yl)-2-methylaniline.
What is the SMILES notation for 4-(2-ethylpyrrolidin-1-yl)-2-methylaniline?
The canonical SMILES for 4-(2-ethylpyrrolidin-1-yl)-2-methylaniline is CCC1CCCN1c1ccc(N)c(C)c1.
What is the InChIKey of 4-(2-ethylpyrrolidin-1-yl)-2-methylaniline?
The InChIKey is GQUAYFYGGMZJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-11-5-4-8-15(11)12-6-7-13(14)10(2)9-12/h6-7,9,11H,3-5,8,14H2,1-2H3.
What are the key properties of 4-(2-ethylpyrrolidin-1-yl)-2-methylaniline?
4-(2-ethylpyrrolidin-1-yl)-2-methylaniline has a molecular weight of 204.32 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrrolidin-1-yl)-2-methylaniline is sourced from PubChem (CID 60974665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).