(1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine

C17H15ClN2O — CID 107387284

IUPAC(1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine
SMILESC[C@@H](N)c1ccc(Oc2cnc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C17H15ClN2O/c1-11(19)12-6-7-17(15(18)9-12)21-14-8-13-4-2-3-5-16(13)20-10-14/h2-11H,19H2,1H3/t11-/m1/s1
InChIKeySJIDIBGTHOYDGF-LLVKDONJSA-N
MW298.77 g/mol
LogP4.70
Rot. Bonds3

About (1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine

(1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine (PubChem CID 107387284) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is (1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine
PubChem CID107387284
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name(1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine
SMILESC[C@@H](N)c1ccc(Oc2cnc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C17H15ClN2O/c1-11(19)12-6-7-17(15(18)9-12)21-14-8-13-4-2-3-5-16(13)20-10-14/h2-11H,19H2,1H3/t11-/m1/s1
InChIKeySJIDIBGTHOYDGF-LLVKDONJSA-N
XLogP4.70
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine
CID 63532726
(1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 78938383
(1S)-1-(3-fluoro-4-quinolin-3-yloxyphenyl)ethanol
CID 107387503
5-chloro-2-quinolin-3-yloxyaniline
CID 107386897
1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 55132671
(1R)-1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 63369799
(1S)-1-[4-(3-tert-butylphenoxy)-3-chlorophenyl]ethanamine
CID 78944267
1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol
CID 107387496
1-(4-quinolin-3-ylphenyl)ethanamine
CID 61025772
(1S)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78938399
3-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 107387584
2-chloro-6-quinolin-3-yloxybenzenecarbothioamide
CID 107387145

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine?
The IUPAC name of (1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine (CID 107387284) is (1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine?
The canonical SMILES for (1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine is C[C@@H](N)c1ccc(Oc2cnc3ccccc3c2)c(Cl)c1.
What is the InChIKey of (1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine?
The InChIKey is SJIDIBGTHOYDGF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11(19)12-6-7-17(15(18)9-12)21-14-8-13-4-2-3-5-16(13)20-10-14/h2-11H,19H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine?
(1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine has a molecular weight of 298.77 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine is sourced from PubChem (CID 107387284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).