2-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxy-4-methylpentan-1-amine

C16H26N2O — CID 106675510

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CC(CN)N1CCCc2ccccc21
InChIInChI=1S/C16H26N2O/c1-16(2,19-3)11-14(12-17)18-10-6-8-13-7-4-5-9-15(13)18/h4-5,7,9,14H,6,8,10-12,17H2,1-3H3
InChIKeyLOIAOLPVVXJBJA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.58
Rot. Bonds5

About 2-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxy-4-methylpentan-1-amine

2-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxy-4-methylpentan-1-amine (PubChem CID 106675510) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxy-4-methylpentan-1-amine
PubChem CID106675510
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CC(CN)N1CCCc2ccccc21
InChIInChI=1S/C16H26N2O/c1-16(2,19-3)11-14(12-17)18-10-6-8-13-7-4-5-9-15(13)18/h4-5,7,9,14H,6,8,10-12,17H2,1-3H3
InChIKeyLOIAOLPVVXJBJA-UHFFFAOYSA-N
XLogP2.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxy-4-methylpentan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxy-4-methylpentan-1-amine (CID 106675510) is 2-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxy-4-methylpentan-1-amine is COC(C)(C)CC(CN)N1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxy-4-methylpentan-1-amine?
The InChIKey is LOIAOLPVVXJBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,19-3)11-14(12-17)18-10-6-8-13-7-4-5-9-15(13)18/h4-5,7,9,14H,6,8,10-12,17H2,1-3H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxy-4-methylpentan-1-amine?
2-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxy-4-methylpentan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 106675510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).