1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine

C18H20N2O2 — CID 16793669

IUPAC1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
SMILESNC(CN1CCCc2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H20N2O2/c19-15(14-7-8-17-18(10-14)22-12-21-17)11-20-9-3-5-13-4-1-2-6-16(13)20/h1-2,4,6-8,10,15H,3,5,9,11-12,19H2
InChIKeyCXNOFARGTXJFTM-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.87
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine

1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine (PubChem CID 16793669) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
PubChem CID16793669
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
SMILESNC(CN1CCCc2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H20N2O2/c19-15(14-7-8-17-18(10-14)22-12-21-17)11-20-9-3-5-13-4-1-2-6-16(13)20/h1-2,4,6-8,10,15H,3,5,9,11-12,19H2
InChIKeyCXNOFARGTXJFTM-UHFFFAOYSA-N
XLogP2.87
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 95576385
2-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)ethanamine
CID 43327440
1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-amine
CID 81101379
(1S)-1-(1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 55278725
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
1-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxybutan-2-amine
CID 62476969
2-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine
CID 16780854
(2R)-2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(dimethylamino)acetamide
CID 126443756
1-(1,3-benzodioxol-5-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine
CID 61441471
2-(3,4-dihydro-2H-quinolin-1-yl)-1-naphthalen-2-ylethanol
CID 82216010
1-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]piperidine-4-carboxamide
CID 16783727
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 9258468

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine (CID 16793669) is 1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine is NC(CN1CCCc2ccccc21)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The InChIKey is CXNOFARGTXJFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c19-15(14-7-8-17-18(10-14)22-12-21-17)11-20-9-3-5-13-4-1-2-6-16(13)20/h1-2,4,6-8,10,15H,3,5,9,11-12,19H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine?
1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine has a molecular weight of 296.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine is sourced from PubChem (CID 16793669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).