2-(6-tert-butyl-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine

C16H26N2 — CID 84632621

IUPAC2-(6-tert-butyl-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine
SMILESCN1c2ccc(C(C)(C)C)cc2CCC1CCN
InChIInChI=1S/C16H26N2/c1-16(2,3)13-6-8-15-12(11-13)5-7-14(9-10-17)18(15)4/h6,8,11,14H,5,7,9-10,17H2,1-4H3
InChIKeyFEEFNKNCJUMLHH-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.08
Rot. Bonds2

About 2-(6-tert-butyl-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine

2-(6-tert-butyl-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine (PubChem CID 84632621) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(6-tert-butyl-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(6-tert-butyl-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine
PubChem CID84632621
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(6-tert-butyl-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine
SMILESCN1c2ccc(C(C)(C)C)cc2CCC1CCN
InChIInChI=1S/C16H26N2/c1-16(2,3)13-6-8-15-12(11-13)5-7-14(9-10-17)18(15)4/h6,8,11,14H,5,7,9-10,17H2,1-4H3
InChIKeyFEEFNKNCJUMLHH-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine?
The IUPAC name of 2-(6-tert-butyl-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine (CID 84632621) is 2-(6-tert-butyl-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine.
What is the SMILES notation for 2-(6-tert-butyl-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine?
The canonical SMILES for 2-(6-tert-butyl-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine is CN1c2ccc(C(C)(C)C)cc2CCC1CCN.
What is the InChIKey of 2-(6-tert-butyl-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine?
The InChIKey is FEEFNKNCJUMLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,3)13-6-8-15-12(11-13)5-7-14(9-10-17)18(15)4/h6,8,11,14H,5,7,9-10,17H2,1-4H3.
What are the key properties of 2-(6-tert-butyl-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine?
2-(6-tert-butyl-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine is sourced from PubChem (CID 84632621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).