2-[cyclopropyl(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)amino]ethanol

C16H18N2O3 — CID 106541360

IUPAC2-[cyclopropyl(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)amino]ethanol
SMILESOCCN(c1nccc2cc3c(cc12)OCCO3)C1CC1
InChIInChI=1S/C16H18N2O3/c19-6-5-18(12-1-2-12)16-13-10-15-14(20-7-8-21-15)9-11(13)3-4-17-16/h3-4,9-10,12,19H,1-2,5-8H2
InChIKeyWSBKTVPIPLDFEO-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.97
Rot. Bonds4

About 2-[cyclopropyl(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)amino]ethanol

2-[cyclopropyl(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)amino]ethanol (PubChem CID 106541360) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[cyclopropyl(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)amino]ethanol
PubChem CID106541360
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[cyclopropyl(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)amino]ethanol
SMILESOCCN(c1nccc2cc3c(cc12)OCCO3)C1CC1
InChIInChI=1S/C16H18N2O3/c19-6-5-18(12-1-2-12)16-13-10-15-14(20-7-8-21-15)9-11(13)3-4-17-16/h3-4,9-10,12,19H,1-2,5-8H2
InChIKeyWSBKTVPIPLDFEO-UHFFFAOYSA-N
XLogP1.97
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropyl(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)amino]ethanol with MolForge

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Related Compounds

N'-cyclopropyl-N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethane-1,2-diamine
CID 106543337
2-[cyclopropyl([1,3]dioxolo[4,5-g]isoquinolin-5-yl)amino]acetic acid
CID 106536005
2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(prop-2-enyl)amino]ethanol
CID 106541610
2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol
CID 106541393
2-[butyl([1,3]dioxolo[4,5-g]isoquinolin-5-yl)amino]ethanol
CID 106541427
N-(2-bromoethyl)-N-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106542911
2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-ylmethanethiol
CID 116995483
2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(ethyl)amino]acetic acid
CID 106536023
2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclopropylamino]ethanol
CID 107055331
2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol
CID 65418206
2-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-N-methylpropane-1,2-diamine
CID 106543522
6-[2-(bromomethyl)pyrrolidin-1-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
CID 106542864

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)amino]ethanol?
The IUPAC name of 2-[cyclopropyl(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)amino]ethanol (CID 106541360) is 2-[cyclopropyl(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)amino]ethanol?
The canonical SMILES for 2-[cyclopropyl(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)amino]ethanol is OCCN(c1nccc2cc3c(cc12)OCCO3)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)amino]ethanol?
The InChIKey is WSBKTVPIPLDFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-6-5-18(12-1-2-12)16-13-10-15-14(20-7-8-21-15)9-11(13)3-4-17-16/h3-4,9-10,12,19H,1-2,5-8H2.
What are the key properties of 2-[cyclopropyl(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)amino]ethanol?
2-[cyclopropyl(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)amino]ethanol has a molecular weight of 286.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)amino]ethanol is sourced from PubChem (CID 106541360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).