[4-[(3,5-dichloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine

C11H15Cl2N3O — CID 74240427

IUPAC[4-[(3,5-dichloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine
SMILESNCC1CN(Cc2c(Cl)cncc2Cl)CCO1
InChIInChI=1S/C11H15Cl2N3O/c12-10-4-15-5-11(13)9(10)7-16-1-2-17-8(3-14)6-16/h4-5,8H,1-3,6-7,14H2
InChIKeyURQLRGXPHIFXMJ-UHFFFAOYSA-N
MW276.17 g/mol
LogP1.55
Rot. Bonds3

About [4-[(3,5-dichloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine

[4-[(3,5-dichloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine (PubChem CID 74240427) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is [4-[(3,5-dichloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(3,5-dichloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine
PubChem CID74240427
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name[4-[(3,5-dichloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine
SMILESNCC1CN(Cc2c(Cl)cncc2Cl)CCO1
InChIInChI=1S/C11H15Cl2N3O/c12-10-4-15-5-11(13)9(10)7-16-1-2-17-8(3-14)6-16/h4-5,8H,1-3,6-7,14H2
InChIKeyURQLRGXPHIFXMJ-UHFFFAOYSA-N
XLogP1.55
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dichloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[(3,5-dichloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine (CID 74240427) is [4-[(3,5-dichloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(3,5-dichloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[(3,5-dichloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine is NCC1CN(Cc2c(Cl)cncc2Cl)CCO1.
What is the InChIKey of [4-[(3,5-dichloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine?
The InChIKey is URQLRGXPHIFXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c12-10-4-15-5-11(13)9(10)7-16-1-2-17-8(3-14)6-16/h4-5,8H,1-3,6-7,14H2.
What are the key properties of [4-[(3,5-dichloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine?
[4-[(3,5-dichloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine has a molecular weight of 276.17 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dichloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 74240427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).