4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline

C18H22N2O — CID 80649456

IUPAC4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
SMILESCCOc1ccc(NCc2cccc3c2NCCC3)cc1
InChIInChI=1S/C18H22N2O/c1-2-21-17-10-8-16(9-11-17)20-13-15-6-3-5-14-7-4-12-19-18(14)15/h3,5-6,8-11,19-20H,2,4,7,12-13H2,1H3
InChIKeyJAWXOLHEQKWUNV-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.06
Rot. Bonds5

About 4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline

4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline (PubChem CID 80649456) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline.

Molecular Properties

Compound Name4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
PubChem CID80649456
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
SMILESCCOc1ccc(NCc2cccc3c2NCCC3)cc1
InChIInChI=1S/C18H22N2O/c1-2-21-17-10-8-16(9-11-17)20-13-15-6-3-5-14-7-4-12-19-18(14)15/h3,5-6,8-11,19-20H,2,4,7,12-13H2,1H3
InChIKeyJAWXOLHEQKWUNV-UHFFFAOYSA-N
XLogP4.06
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline?
The IUPAC name of 4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline (CID 80649456) is 4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline.
What is the SMILES notation for 4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline?
The canonical SMILES for 4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline is CCOc1ccc(NCc2cccc3c2NCCC3)cc1.
What is the InChIKey of 4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline?
The InChIKey is JAWXOLHEQKWUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-21-17-10-8-16(9-11-17)20-13-15-6-3-5-14-7-4-12-19-18(14)15/h3,5-6,8-11,19-20H,2,4,7,12-13H2,1H3.
What are the key properties of 4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline?
4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline has a molecular weight of 282.39 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline is sourced from PubChem (CID 80649456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).