(1S)-1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanamine

C15H17ClN2O — CID 83123923

IUPAC(1S)-1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanamine
SMILESCCc1cc(Oc2ccc([C@H](C)N)nc2)ccc1Cl
InChIInChI=1S/C15H17ClN2O/c1-3-11-8-12(4-6-14(11)16)19-13-5-7-15(10(2)17)18-9-13/h4-10H,3,17H2,1-2H3/t10-/m0/s1
InChIKeyKTZUFTKTKFZXAN-JTQLQIEISA-N
MW276.77 g/mol
LogP4.11
Rot. Bonds4

About (1S)-1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanamine

(1S)-1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanamine (PubChem CID 83123923) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is (1S)-1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanamine
PubChem CID83123923
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name(1S)-1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanamine
SMILESCCc1cc(Oc2ccc([C@H](C)N)nc2)ccc1Cl
InChIInChI=1S/C15H17ClN2O/c1-3-11-8-12(4-6-14(11)16)19-13-5-7-15(10(2)17)18-9-13/h4-10H,3,17H2,1-2H3/t10-/m0/s1
InChIKeyKTZUFTKTKFZXAN-JTQLQIEISA-N
XLogP4.11
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-(3-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83127697
1-[5-(2,4,5-trichlorophenoxy)-2-pyridinyl]ethanamine
CID 83127680
1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone
CID 83119327
(1R)-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83127768
1-[5-(5-bromo-2-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83124274
(1S)-1-[5-(5-bromo-2-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83123226
(1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine
CID 83123438
(1R)-1-[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]ethanamine
CID 83127678
(1S)-1-[5-(4-chloro-3-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 103938051
(1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine
CID 83127048
(1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83127124
(1S)-1-[5-(3-iodophenoxy)-2-pyridinyl]ethanamine
CID 83123599

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanamine (CID 83123923) is (1S)-1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanamine is CCc1cc(Oc2ccc([C@H](C)N)nc2)ccc1Cl.
What is the InChIKey of (1S)-1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanamine?
The InChIKey is KTZUFTKTKFZXAN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-3-11-8-12(4-6-14(11)16)19-13-5-7-15(10(2)17)18-9-13/h4-10H,3,17H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanamine?
(1S)-1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanamine has a molecular weight of 276.77 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83123923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).