2-[2-(2-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanamine

C20H21ClN2O2 — CID 68759971

IUPAC2-[2-(2-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanamine
SMILESCC(C)Oc1ccc(Oc2ccc3cc(CCN)ccc3n2)c(Cl)c1
InChIInChI=1S/C20H21ClN2O2/c1-13(2)24-16-5-7-19(17(21)12-16)25-20-8-4-15-11-14(9-10-22)3-6-18(15)23-20/h3-8,11-13H,9-10,22H2,1-2H3
InChIKeyASAXIBAWOLFJNN-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.97
Rot. Bonds6

About 2-[2-(2-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanamine

2-[2-(2-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanamine (PubChem CID 68759971) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 2-[2-(2-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanamine
PubChem CID68759971
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name2-[2-(2-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanamine
SMILESCC(C)Oc1ccc(Oc2ccc3cc(CCN)ccc3n2)c(Cl)c1
InChIInChI=1S/C20H21ClN2O2/c1-13(2)24-16-5-7-19(17(21)12-16)25-20-8-4-15-11-14(9-10-22)3-6-18(15)23-20/h3-8,11-13H,9-10,22H2,1-2H3
InChIKeyASAXIBAWOLFJNN-UHFFFAOYSA-N
XLogP4.97
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanamine?
The IUPAC name of 2-[2-(2-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanamine (CID 68759971) is 2-[2-(2-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanamine?
The canonical SMILES for 2-[2-(2-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanamine is CC(C)Oc1ccc(Oc2ccc3cc(CCN)ccc3n2)c(Cl)c1.
What is the InChIKey of 2-[2-(2-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanamine?
The InChIKey is ASAXIBAWOLFJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-13(2)24-16-5-7-19(17(21)12-16)25-20-8-4-15-11-14(9-10-22)3-6-18(15)23-20/h3-8,11-13H,9-10,22H2,1-2H3.
What are the key properties of 2-[2-(2-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanamine?
2-[2-(2-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanamine has a molecular weight of 356.85 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanamine is sourced from PubChem (CID 68759971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).