1-[4-[(4-chloro-2-pyridinyl)methyl]morpholin-2-yl]ethanamine

C12H18ClN3O — CID 115315468

IUPAC1-[4-[(4-chloro-2-pyridinyl)methyl]morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(Cc2cc(Cl)ccn2)CCO1
InChIInChI=1S/C12H18ClN3O/c1-9(14)12-8-16(4-5-17-12)7-11-6-10(13)2-3-15-11/h2-3,6,9,12H,4-5,7-8,14H2,1H3
InChIKeyJRYVLEIPODLVCD-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.28
Rot. Bonds3

About 1-[4-[(4-chloro-2-pyridinyl)methyl]morpholin-2-yl]ethanamine

1-[4-[(4-chloro-2-pyridinyl)methyl]morpholin-2-yl]ethanamine (PubChem CID 115315468) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-[4-[(4-chloro-2-pyridinyl)methyl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[(4-chloro-2-pyridinyl)methyl]morpholin-2-yl]ethanamine
PubChem CID115315468
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name1-[4-[(4-chloro-2-pyridinyl)methyl]morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(Cc2cc(Cl)ccn2)CCO1
InChIInChI=1S/C12H18ClN3O/c1-9(14)12-8-16(4-5-17-12)7-11-6-10(13)2-3-15-11/h2-3,6,9,12H,4-5,7-8,14H2,1H3
InChIKeyJRYVLEIPODLVCD-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chloro-2-pyridinyl)methyl]morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-[(4-chloro-2-pyridinyl)methyl]morpholin-2-yl]ethanamine (CID 115315468) is 1-[4-[(4-chloro-2-pyridinyl)methyl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[(4-chloro-2-pyridinyl)methyl]morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-[(4-chloro-2-pyridinyl)methyl]morpholin-2-yl]ethanamine is CC(N)C1CN(Cc2cc(Cl)ccn2)CCO1.
What is the InChIKey of 1-[4-[(4-chloro-2-pyridinyl)methyl]morpholin-2-yl]ethanamine?
The InChIKey is JRYVLEIPODLVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-9(14)12-8-16(4-5-17-12)7-11-6-10(13)2-3-15-11/h2-3,6,9,12H,4-5,7-8,14H2,1H3.
What are the key properties of 1-[4-[(4-chloro-2-pyridinyl)methyl]morpholin-2-yl]ethanamine?
1-[4-[(4-chloro-2-pyridinyl)methyl]morpholin-2-yl]ethanamine has a molecular weight of 255.75 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chloro-2-pyridinyl)methyl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 115315468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).