3-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline

C13H18N2 — CID 118626252

IUPAC3-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline
SMILESCCc1cc(N)ccc1C1=CCNCC1
InChIInChI=1S/C13H18N2/c1-2-10-9-12(14)3-4-13(10)11-5-7-15-8-6-11/h3-5,9,15H,2,6-8,14H2,1H3
InChIKeyGLRHSWFMPGFATJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.21
Rot. Bonds2

About 3-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline

3-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline (PubChem CID 118626252) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline.

Molecular Properties

Compound Name3-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline
PubChem CID118626252
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline
SMILESCCc1cc(N)ccc1C1=CCNCC1
InChIInChI=1S/C13H18N2/c1-2-10-9-12(14)3-4-13(10)11-5-7-15-8-6-11/h3-5,9,15H,2,6-8,14H2,1H3
InChIKeyGLRHSWFMPGFATJ-UHFFFAOYSA-N
XLogP2.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline?
The IUPAC name of 3-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline (CID 118626252) is 3-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline.
What is the SMILES notation for 3-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline?
The canonical SMILES for 3-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline is CCc1cc(N)ccc1C1=CCNCC1.
What is the InChIKey of 3-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline?
The InChIKey is GLRHSWFMPGFATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-10-9-12(14)3-4-13(10)11-5-7-15-8-6-11/h3-5,9,15H,2,6-8,14H2,1H3.
What are the key properties of 3-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline?
3-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline has a molecular weight of 202.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline is sourced from PubChem (CID 118626252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).