1-[2-(3,4-dichlorophenoxy)quinolin-3-yl]ethanamine

C17H14Cl2N2O — CID 91322838

IUPAC1-[2-(3,4-dichlorophenoxy)quinolin-3-yl]ethanamine
SMILESCC(N)c1cc2ccccc2nc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2N2O/c1-10(20)13-8-11-4-2-3-5-16(11)21-17(13)22-12-6-7-14(18)15(19)9-12/h2-10H,20H2,1H3
InChIKeyWULGCEUCKQHXHW-UHFFFAOYSA-N
MW333.22 g/mol
LogP5.35
Rot. Bonds3

About 1-[2-(3,4-dichlorophenoxy)quinolin-3-yl]ethanamine

1-[2-(3,4-dichlorophenoxy)quinolin-3-yl]ethanamine (PubChem CID 91322838) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenoxy)quinolin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenoxy)quinolin-3-yl]ethanamine
PubChem CID91322838
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name1-[2-(3,4-dichlorophenoxy)quinolin-3-yl]ethanamine
SMILESCC(N)c1cc2ccccc2nc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2N2O/c1-10(20)13-8-11-4-2-3-5-16(11)21-17(13)22-12-6-7-14(18)15(19)9-12/h2-10H,20H2,1H3
InChIKeyWULGCEUCKQHXHW-UHFFFAOYSA-N
XLogP5.35
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.22
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-chloroquinolin-3-yl)ethanamine
CID 130699485
(1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine
CID 103959328
2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)quinoline
CID 82718093
1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol
CID 107387496
1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine
CID 43094702
(1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171251439
1-[2-(3,4-dichlorophenoxy)phenyl]ethanol
CID 54898383
(1S)-1-(2-chloroquinolin-3-yl)butan-1-amine
CID 131617747
(1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine
CID 63369876
2-[2-(4-chlorophenoxy)quinolin-3-yl]ethanamine
CID 63804294
6-(3,4-dichlorophenoxy)-2,4-di(propan-2-yl)pyridin-3-amine
CID 58153470
methyl (2R)-2-amino-2-(2-chloroquinolin-3-yl)acetate;hydrochloride
CID 171234856

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenoxy)quinolin-3-yl]ethanamine?
The IUPAC name of 1-[2-(3,4-dichlorophenoxy)quinolin-3-yl]ethanamine (CID 91322838) is 1-[2-(3,4-dichlorophenoxy)quinolin-3-yl]ethanamine.
What is the SMILES notation for 1-[2-(3,4-dichlorophenoxy)quinolin-3-yl]ethanamine?
The canonical SMILES for 1-[2-(3,4-dichlorophenoxy)quinolin-3-yl]ethanamine is CC(N)c1cc2ccccc2nc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-(3,4-dichlorophenoxy)quinolin-3-yl]ethanamine?
The InChIKey is WULGCEUCKQHXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c1-10(20)13-8-11-4-2-3-5-16(11)21-17(13)22-12-6-7-14(18)15(19)9-12/h2-10H,20H2,1H3.
What are the key properties of 1-[2-(3,4-dichlorophenoxy)quinolin-3-yl]ethanamine?
1-[2-(3,4-dichlorophenoxy)quinolin-3-yl]ethanamine has a molecular weight of 333.22 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenoxy)quinolin-3-yl]ethanamine is sourced from PubChem (CID 91322838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).