ethane;2-isoquinolin-7-yloxyaniline

C17H18N2O — CID 91030304

IUPACethane;2-isoquinolin-7-yloxyaniline
SMILESCC.Nc1ccccc1Oc1ccc2ccncc2c1
InChIInChI=1S/C15H12N2O.C2H6/c16-14-3-1-2-4-15(14)18-13-6-5-11-7-8-17-10-12(11)9-13;1-2/h1-10H,16H2;1-2H3
InChIKeyZDNHRCMCZJIMHZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.64
Rot. Bonds2

About ethane;2-isoquinolin-7-yloxyaniline

ethane;2-isoquinolin-7-yloxyaniline (PubChem CID 91030304) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is ethane;2-isoquinolin-7-yloxyaniline.

Molecular Properties

Compound Nameethane;2-isoquinolin-7-yloxyaniline
PubChem CID91030304
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Nameethane;2-isoquinolin-7-yloxyaniline
SMILESCC.Nc1ccccc1Oc1ccc2ccncc2c1
InChIInChI=1S/C15H12N2O.C2H6/c16-14-3-1-2-4-15(14)18-13-6-5-11-7-8-17-10-12(11)9-13;1-2/h1-10H,16H2;1-2H3
InChIKeyZDNHRCMCZJIMHZ-UHFFFAOYSA-N
XLogP4.64
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-phenoxyisoquinoline
CID 170278308
2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338470
5-methyl-2-naphthalen-2-yloxyaniline
CID 26189514
3-naphthalen-2-yloxynaphthalen-2-amine
CID 155306607
4-(3,4-dimethylphenoxy)pyridin-3-amine
CID 28890163
2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 22338373
1-[3-(2-aminophenoxy)phenyl]ethanone
CID 154186967
ethane;isoquinolin-6-amine
CID 143931414
2-(6,7-dimethoxyquinolin-3-yl)oxyaniline
CID 141479585
4-(1H-indol-5-yloxy)pyridin-3-amine
CID 15053115
ethane;isoquinoline;hydroiodide
CID 153349858
9-azaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-heptadecaene
CID 91751532

Frequently Asked Questions

What is the IUPAC name of ethane;2-isoquinolin-7-yloxyaniline?
The IUPAC name of ethane;2-isoquinolin-7-yloxyaniline (CID 91030304) is ethane;2-isoquinolin-7-yloxyaniline.
What is the SMILES notation for ethane;2-isoquinolin-7-yloxyaniline?
The canonical SMILES for ethane;2-isoquinolin-7-yloxyaniline is CC.Nc1ccccc1Oc1ccc2ccncc2c1.
What is the InChIKey of ethane;2-isoquinolin-7-yloxyaniline?
The InChIKey is ZDNHRCMCZJIMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O.C2H6/c16-14-3-1-2-4-15(14)18-13-6-5-11-7-8-17-10-12(11)9-13;1-2/h1-10H,16H2;1-2H3.
What are the key properties of ethane;2-isoquinolin-7-yloxyaniline?
ethane;2-isoquinolin-7-yloxyaniline has a molecular weight of 266.34 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-isoquinolin-7-yloxyaniline is sourced from PubChem (CID 91030304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).