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

C12H18ClN3O — CID 55054591

IUPAC[3-chloro-6-(2,2-dimethylmorpholin-4-yl)-2-pyridinyl]methanamine
SMILESCC1(C)CN(c2ccc(Cl)c(CN)n2)CCO1
InChIInChI=1S/C12H18ClN3O/c1-12(2)8-16(5-6-17-12)11-4-3-9(13)10(7-14)15-11/h3-4H,5-8,14H2,1-2H3
InChIKeyIFZJRRVCBXBMRJ-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.81
Rot. Bonds2

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

[3-chloro-6-(2,2-dimethylmorpholin-4-yl)-2-pyridinyl]methanamine (PubChem CID 55054591) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is [3-chloro-6-(2,2-dimethylmorpholin-4-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-6-(2,2-dimethylmorpholin-4-yl)-2-pyridinyl]methanamine
PubChem CID55054591
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name[3-chloro-6-(2,2-dimethylmorpholin-4-yl)-2-pyridinyl]methanamine
SMILESCC1(C)CN(c2ccc(Cl)c(CN)n2)CCO1
InChIInChI=1S/C12H18ClN3O/c1-12(2)8-16(5-6-17-12)11-4-3-9(13)10(7-14)15-11/h3-4H,5-8,14H2,1-2H3
InChIKeyIFZJRRVCBXBMRJ-UHFFFAOYSA-N
XLogP1.81
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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-(2,2-dimethylmorpholin-4-yl)-2-pyridinyl]methanamine?
The IUPAC name of [3-chloro-6-(2,2-dimethylmorpholin-4-yl)-2-pyridinyl]methanamine (CID 55054591) is [3-chloro-6-(2,2-dimethylmorpholin-4-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-6-(2,2-dimethylmorpholin-4-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-6-(2,2-dimethylmorpholin-4-yl)-2-pyridinyl]methanamine is CC1(C)CN(c2ccc(Cl)c(CN)n2)CCO1.
What is the InChIKey of [3-chloro-6-(2,2-dimethylmorpholin-4-yl)-2-pyridinyl]methanamine?
The InChIKey is IFZJRRVCBXBMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-12(2)8-16(5-6-17-12)11-4-3-9(13)10(7-14)15-11/h3-4H,5-8,14H2,1-2H3.
What are the key properties of [3-chloro-6-(2,2-dimethylmorpholin-4-yl)-2-pyridinyl]methanamine?
[3-chloro-6-(2,2-dimethylmorpholin-4-yl)-2-pyridinyl]methanamine has a molecular weight of 255.75 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(2,2-dimethylmorpholin-4-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 55054591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).