2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine

C14H22N2O — CID 54806928

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCN1CCCc2ccccc21
InChIInChI=1S/C14H22N2O/c1-17-12-9-15-8-11-16-10-4-6-13-5-2-3-7-14(13)16/h2-3,5,7,15H,4,6,8-12H2,1H3
InChIKeyVSHAQGFJALGHDO-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.68
Rot. Bonds6

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine (PubChem CID 54806928) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine
PubChem CID54806928
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCN1CCCc2ccccc21
InChIInChI=1S/C14H22N2O/c1-17-12-9-15-8-11-16-10-4-6-13-5-2-3-7-14(13)16/h2-3,5,7,15H,4,6,8-12H2,1H3
InChIKeyVSHAQGFJALGHDO-UHFFFAOYSA-N
XLogP1.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62569832
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine
CID 62574477
N-(2-methoxyethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
CID 55236342
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline
CID 54806801
N-(2-methoxyethyl)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine
CID 63153557
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 62573733
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
CID 112757446
1-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxybutan-2-amine
CID 62476969
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-methoxypropan-2-amine
CID 55085162
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine
CID 54806649
1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-amine
CID 81101379

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine (CID 54806928) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine is COCCNCCN1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is VSHAQGFJALGHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-17-12-9-15-8-11-16-10-4-6-13-5-2-3-7-14(13)16/h2-3,5,7,15H,4,6,8-12H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 234.34 g/mol, XLogP of 1.68, 6 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)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 54806928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).