1-(3-chloro-2-pyridinyl)-N-methyl-2-propoxyethanamine

C11H17ClN2O — CID 103444249

IUPAC1-(3-chloro-2-pyridinyl)-N-methyl-2-propoxyethanamine
SMILESCCCOCC(NC)c1ncccc1Cl
InChIInChI=1S/C11H17ClN2O/c1-3-7-15-8-10(13-2)11-9(12)5-4-6-14-11/h4-6,10,13H,3,7-8H2,1-2H3
InChIKeyUUKWGXKEZNXYPI-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.42
Rot. Bonds6

About 1-(3-chloro-2-pyridinyl)-N-methyl-2-propoxyethanamine

1-(3-chloro-2-pyridinyl)-N-methyl-2-propoxyethanamine (PubChem CID 103444249) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-methyl-2-propoxyethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-methyl-2-propoxyethanamine
PubChem CID103444249
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name1-(3-chloro-2-pyridinyl)-N-methyl-2-propoxyethanamine
SMILESCCCOCC(NC)c1ncccc1Cl
InChIInChI=1S/C11H17ClN2O/c1-3-7-15-8-10(13-2)11-9(12)5-4-6-14-11/h4-6,10,13H,3,7-8H2,1-2H3
InChIKeyUUKWGXKEZNXYPI-UHFFFAOYSA-N
XLogP2.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-methylpent-4-en-1-amine
CID 103444341
1-(3-chloro-2-pyridinyl)butylhydrazine
CID 103445669
1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine
CID 103444817
1-(3-chloro-2-pyridinyl)-N-ethylpentan-1-amine
CID 103444452
N-methyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine
CID 63155924
[1-(2,6-dichlorophenyl)-2-propoxyethyl]hydrazine
CID 105321436
1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 103444154
N-methyl-2-propoxy-1-quinoxalin-5-ylethanamine
CID 105165419
(2-propoxy-1-pyrimidin-2-ylethyl)hydrazine
CID 105203560
1-(3-chloro-2-pyridinyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 103444184
1-(3-chloro-2-pyridinyl)-N-methylprop-2-yn-1-amine
CID 103444052
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
CID 114649102

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-methyl-2-propoxyethanamine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-methyl-2-propoxyethanamine (CID 103444249) is 1-(3-chloro-2-pyridinyl)-N-methyl-2-propoxyethanamine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-methyl-2-propoxyethanamine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-methyl-2-propoxyethanamine is CCCOCC(NC)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-methyl-2-propoxyethanamine?
The InChIKey is UUKWGXKEZNXYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-3-7-15-8-10(13-2)11-9(12)5-4-6-14-11/h4-6,10,13H,3,7-8H2,1-2H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-methyl-2-propoxyethanamine?
1-(3-chloro-2-pyridinyl)-N-methyl-2-propoxyethanamine has a molecular weight of 228.72 g/mol, XLogP of 2.42, 6 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-propoxyethanamine is sourced from PubChem (CID 103444249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).