1-[1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine

C17H28N2O — CID 106449096

IUPAC1-[1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
SMILESCC(C)COCCN1CCCc2cc(C(C)N)ccc21
InChIInChI=1S/C17H28N2O/c1-13(2)12-20-10-9-19-8-4-5-16-11-15(14(3)18)6-7-17(16)19/h6-7,11,13-14H,4-5,8-10,12,18H2,1-3H3
InChIKeyRUNCCVPCHYTMFK-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.13
Rot. Bonds6

About 1-[1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine

1-[1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine (PubChem CID 106449096) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
PubChem CID106449096
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
SMILESCC(C)COCCN1CCCc2cc(C(C)N)ccc21
InChIInChI=1S/C17H28N2O/c1-13(2)12-20-10-9-19-8-4-5-16-11-15(14(3)18)6-7-17(16)19/h6-7,11,13-14H,4-5,8-10,12,18H2,1-3H3
InChIKeyRUNCCVPCHYTMFK-UHFFFAOYSA-N
XLogP3.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[2-(2-methoxyethoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661928
1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661900
1-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661914
1-[1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661895
1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661907
3-[6-(1-aminoethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethylpropan-1-amine
CID 102661874
N-ethyl-1-[1-[2-(2-methylpropoxy)ethyl]-2,3-dihydroindol-5-yl]ethanamine
CID 106449089
1-[1-(2-phenoxyethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661495
1-[1-[2-(2-methoxyethoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine
CID 102662022
1-[1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindol-5-yl]ethanamine
CID 103408871
1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661948
1-(2-propan-2-yloxyethyl)-3,4-dihydro-2H-quinolin-6-amine
CID 54957754

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The IUPAC name of 1-[1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine (CID 106449096) is 1-[1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine.
What is the SMILES notation for 1-[1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The canonical SMILES for 1-[1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine is CC(C)COCCN1CCCc2cc(C(C)N)ccc21.
What is the InChIKey of 1-[1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The InChIKey is RUNCCVPCHYTMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)12-20-10-9-19-8-4-5-16-11-15(14(3)18)6-7-17(16)19/h6-7,11,13-14H,4-5,8-10,12,18H2,1-3H3.
What are the key properties of 1-[1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
1-[1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine is sourced from PubChem (CID 106449096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).