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

C13H20ClN3O — CID 107055393

IUPAC[3-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methanamine
SMILESCC1CN(c2nccc(CN)c2Cl)CC(C)(C)O1
InChIInChI=1S/C13H20ClN3O/c1-9-7-17(8-13(2,3)18-9)12-11(14)10(6-15)4-5-16-12/h4-5,9H,6-8,15H2,1-3H3
InChIKeyBCKXBVHNGHTMOJ-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.20
Rot. Bonds2

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

[3-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methanamine (PubChem CID 107055393) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is [3-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methanamine
PubChem CID107055393
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name[3-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methanamine
SMILESCC1CN(c2nccc(CN)c2Cl)CC(C)(C)O1
InChIInChI=1S/C13H20ClN3O/c1-9-7-17(8-13(2,3)18-9)12-11(14)10(6-15)4-5-16-12/h4-5,9H,6-8,15H2,1-3H3
InChIKeyBCKXBVHNGHTMOJ-UHFFFAOYSA-N
XLogP2.20
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methanamine?
The IUPAC name of [3-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methanamine (CID 107055393) is [3-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methanamine is CC1CN(c2nccc(CN)c2Cl)CC(C)(C)O1.
What is the InChIKey of [3-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methanamine?
The InChIKey is BCKXBVHNGHTMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-9-7-17(8-13(2,3)18-9)12-11(14)10(6-15)4-5-16-12/h4-5,9H,6-8,15H2,1-3H3.
What are the key properties of [3-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methanamine?
[3-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methanamine has a molecular weight of 269.78 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 107055393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).