2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine

C17H26N2O — CID 63503992

IUPAC2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC1Cc2ccccc2N(CCNCC2CCCO2)C1
InChIInChI=1S/C17H26N2O/c1-14-11-15-5-2-3-7-17(15)19(13-14)9-8-18-12-16-6-4-10-20-16/h2-3,5,7,14,16,18H,4,6,8-13H2,1H3
InChIKeyXZKMSQICRCDAHM-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.45
Rot. Bonds5

About 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine

2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 63503992) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID63503992
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC1Cc2ccccc2N(CCNCC2CCCO2)C1
InChIInChI=1S/C17H26N2O/c1-14-11-15-5-2-3-7-17(15)19(13-14)9-8-18-12-16-6-4-10-20-16/h2-3,5,7,14,16,18H,4,6,8-13H2,1H3
InChIKeyXZKMSQICRCDAHM-UHFFFAOYSA-N
XLogP2.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.45
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

N-(furan-2-ylmethyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 63504153
N',N'-dimethyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propane-1,3-diamine
CID 63503822
1-cyclopropyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]ethanamine
CID 63503815
N-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]cyclohexanamine
CID 63502793
1-(4-bromobutyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63447089
5-methyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]hexan-2-amine
CID 63502951
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 63491756
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 63468992
3-methyl-1-[3-(oxolan-2-yl)propyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79908559
N-tert-butyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
CID 63492799
N-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine
CID 62563641
(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 40526138

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine (CID 63503992) is 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine is CC1Cc2ccccc2N(CCNCC2CCCO2)C1.
What is the InChIKey of 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is XZKMSQICRCDAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-11-15-5-2-3-7-17(15)19(13-14)9-8-18-12-16-6-4-10-20-16/h2-3,5,7,14,16,18H,4,6,8-13H2,1H3.
What are the key properties of 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine?
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 274.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 63503992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).