[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanamine

C12H18ClN3O — CID 55054545

IUPAC[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanamine
SMILESCCC1COCCN1c1ccc(Cl)c(CN)n1
InChIInChI=1S/C12H18ClN3O/c1-2-9-8-17-6-5-16(9)12-4-3-10(13)11(7-14)15-12/h3-4,9H,2,5-8,14H2,1H3
InChIKeyNIAKGJZISURQNG-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.81
Rot. Bonds3

About [3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanamine

[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanamine (PubChem CID 55054545) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is [3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanamine
PubChem CID55054545
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanamine
SMILESCCC1COCCN1c1ccc(Cl)c(CN)n1
InChIInChI=1S/C12H18ClN3O/c1-2-9-8-17-6-5-16(9)12-4-3-10(13)11(7-14)15-12/h3-4,9H,2,5-8,14H2,1H3
InChIKeyNIAKGJZISURQNG-UHFFFAOYSA-N
XLogP1.81
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanamine?
The IUPAC name of [3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanamine (CID 55054545) is [3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanamine is CCC1COCCN1c1ccc(Cl)c(CN)n1.
What is the InChIKey of [3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanamine?
The InChIKey is NIAKGJZISURQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-2-9-8-17-6-5-16(9)12-4-3-10(13)11(7-14)15-12/h3-4,9H,2,5-8,14H2,1H3.
What are the key properties of [3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanamine?
[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanamine has a molecular weight of 255.75 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 55054545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).