1-(3-chloro-2-pyridinyl)-N-methyl-2-(oxan-4-yl)ethanamine

C13H19ClN2O — CID 103444184

IUPAC1-(3-chloro-2-pyridinyl)-N-methyl-2-(oxan-4-yl)ethanamine
SMILESCNC(CC1CCOCC1)c1ncccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-15-12(9-10-4-7-17-8-5-10)13-11(14)3-2-6-16-13/h2-3,6,10,12,15H,4-5,7-9H2,1H3
InChIKeyQXOQKWIRZRLCOX-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.81
Rot. Bonds4

About 1-(3-chloro-2-pyridinyl)-N-methyl-2-(oxan-4-yl)ethanamine

1-(3-chloro-2-pyridinyl)-N-methyl-2-(oxan-4-yl)ethanamine (PubChem CID 103444184) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-methyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-methyl-2-(oxan-4-yl)ethanamine
PubChem CID103444184
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-(3-chloro-2-pyridinyl)-N-methyl-2-(oxan-4-yl)ethanamine
SMILESCNC(CC1CCOCC1)c1ncccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-15-12(9-10-4-7-17-8-5-10)13-11(14)3-2-6-16-13/h2-3,6,10,12,15H,4-5,7-9H2,1H3
InChIKeyQXOQKWIRZRLCOX-UHFFFAOYSA-N
XLogP2.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-methylpent-4-en-1-amine
CID 103444341
2-cyclobutyl-1-(3-ethyl-2-pyridinyl)-N-methylethanamine
CID 82729632
N-methyl-2-(oxan-4-yl)-1-pyrazin-2-ylethanamine
CID 62600624
N-methyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103986918
1-(3-chloro-2-pyridinyl)-N-methyl-2-propoxyethanamine
CID 103444249
N-methyl-2-(oxan-4-yl)-1-(thiadiazol-4-yl)ethanamine
CID 105138589
1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846928
1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 107102229
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 107968191
1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 63092027
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine
CID 103444356
1-(3-chloro-2-pyridinyl)butylhydrazine
CID 103445669

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-methyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-methyl-2-(oxan-4-yl)ethanamine (CID 103444184) is 1-(3-chloro-2-pyridinyl)-N-methyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-methyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-methyl-2-(oxan-4-yl)ethanamine is CNC(CC1CCOCC1)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-methyl-2-(oxan-4-yl)ethanamine?
The InChIKey is QXOQKWIRZRLCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-15-12(9-10-4-7-17-8-5-10)13-11(14)3-2-6-16-13/h2-3,6,10,12,15H,4-5,7-9H2,1H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-methyl-2-(oxan-4-yl)ethanamine?
1-(3-chloro-2-pyridinyl)-N-methyl-2-(oxan-4-yl)ethanamine has a molecular weight of 254.76 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-methyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 103444184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).