1-[4-(5-chloro-2-methoxy-3-pyridinyl)-2-methoxyphenyl]ethanamine

C15H17ClN2O2 — CID 69363207

IUPAC1-[4-(5-chloro-2-methoxy-3-pyridinyl)-2-methoxyphenyl]ethanamine
SMILESCOc1cc(-c2cc(Cl)cnc2OC)ccc1C(C)N
InChIInChI=1S/C15H17ClN2O2/c1-9(17)12-5-4-10(6-14(12)19-2)13-7-11(16)8-18-15(13)20-3/h4-9H,17H2,1-3H3
InChIKeyNTXCYANHQVKZNS-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.44
Rot. Bonds4

About 1-[4-(5-chloro-2-methoxy-3-pyridinyl)-2-methoxyphenyl]ethanamine

1-[4-(5-chloro-2-methoxy-3-pyridinyl)-2-methoxyphenyl]ethanamine (PubChem CID 69363207) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-methoxy-3-pyridinyl)-2-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(5-chloro-2-methoxy-3-pyridinyl)-2-methoxyphenyl]ethanamine
PubChem CID69363207
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name1-[4-(5-chloro-2-methoxy-3-pyridinyl)-2-methoxyphenyl]ethanamine
SMILESCOc1cc(-c2cc(Cl)cnc2OC)ccc1C(C)N
InChIInChI=1S/C15H17ClN2O2/c1-9(17)12-5-4-10(6-14(12)19-2)13-7-11(16)8-18-15(13)20-3/h4-9H,17H2,1-3H3
InChIKeyNTXCYANHQVKZNS-UHFFFAOYSA-N
XLogP3.44
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-2-methoxy-3-pyridinyl)-2-methoxyphenyl]ethanamine?
The IUPAC name of 1-[4-(5-chloro-2-methoxy-3-pyridinyl)-2-methoxyphenyl]ethanamine (CID 69363207) is 1-[4-(5-chloro-2-methoxy-3-pyridinyl)-2-methoxyphenyl]ethanamine.
What is the SMILES notation for 1-[4-(5-chloro-2-methoxy-3-pyridinyl)-2-methoxyphenyl]ethanamine?
The canonical SMILES for 1-[4-(5-chloro-2-methoxy-3-pyridinyl)-2-methoxyphenyl]ethanamine is COc1cc(-c2cc(Cl)cnc2OC)ccc1C(C)N.
What is the InChIKey of 1-[4-(5-chloro-2-methoxy-3-pyridinyl)-2-methoxyphenyl]ethanamine?
The InChIKey is NTXCYANHQVKZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-9(17)12-5-4-10(6-14(12)19-2)13-7-11(16)8-18-15(13)20-3/h4-9H,17H2,1-3H3.
What are the key properties of 1-[4-(5-chloro-2-methoxy-3-pyridinyl)-2-methoxyphenyl]ethanamine?
1-[4-(5-chloro-2-methoxy-3-pyridinyl)-2-methoxyphenyl]ethanamine has a molecular weight of 292.77 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-2-methoxy-3-pyridinyl)-2-methoxyphenyl]ethanamine is sourced from PubChem (CID 69363207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).