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

C17H22N2O — CID 63504153

IUPACN-(furan-2-ylmethyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
SMILESCC1Cc2ccccc2N(CCNCc2ccco2)C1
InChIInChI=1S/C17H22N2O/c1-14-11-15-5-2-3-7-17(15)19(13-14)9-8-18-12-16-6-4-10-20-16/h2-7,10,14,18H,8-9,11-13H2,1H3
InChIKeyYHOKIPVQZTUIRS-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.07
Rot. Bonds5

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

N-(furan-2-ylmethyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine (PubChem CID 63504153) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
PubChem CID63504153
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(furan-2-ylmethyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
SMILESCC1Cc2ccccc2N(CCNCc2ccco2)C1
InChIInChI=1S/C17H22N2O/c1-14-11-15-5-2-3-7-17(15)19(13-14)9-8-18-12-16-6-4-10-20-16/h2-7,10,14,18H,8-9,11-13H2,1H3
InChIKeyYHOKIPVQZTUIRS-UHFFFAOYSA-N
XLogP3.07
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(furan-2-ylmethyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine with MolForge

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Related Compounds

N',N'-dimethyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propane-1,3-diamine
CID 63503822
2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 60958081
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 63503992
3-(2,3-dihydroindol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43208035
5-methyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]hexan-2-amine
CID 63502951
1-cyclopropyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]ethanamine
CID 63503815
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
2-(3,4-dimethylpiperazin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 63619827
N-tert-butyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
CID 63492799
1-(4-bromobutyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63447089
(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine (CID 63504153) is N-(furan-2-ylmethyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine is CC1Cc2ccccc2N(CCNCc2ccco2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The InChIKey is YHOKIPVQZTUIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-14-11-15-5-2-3-7-17(15)19(13-14)9-8-18-12-16-6-4-10-20-16/h2-7,10,14,18H,8-9,11-13H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine?
N-(furan-2-ylmethyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine is sourced from PubChem (CID 63504153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).