1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine

C12H17ClN2O — CID 115776721

IUPAC1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCOC1)c1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2O/c1-9(11-2-3-12(13)15-7-11)14-6-10-4-5-16-8-10/h2-3,7,9-10,14H,4-6,8H2,1H3
InChIKeySAOHZCSLZCOFJM-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.42
Rot. Bonds4

About 1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine

1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 115776721) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID115776721
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCOC1)c1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2O/c1-9(11-2-3-12(13)15-7-11)14-6-10-4-5-16-8-10/h2-3,7,9-10,14H,4-6,8H2,1H3
InChIKeySAOHZCSLZCOFJM-UHFFFAOYSA-N
XLogP2.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43202343
(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406305
1-(3-chloro-4-fluorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54931991
1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43674130
N-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 43202632
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808
N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 54931937
N-(oxolan-3-ylmethyl)-1-(2,3,4-trichlorophenyl)ethanamine
CID 54931945
1-(4-methylsulfonylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54931797
1-(2,6-dichloro-3-fluorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54932036
1-(4-bromo-2-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 82773424
N-(oxolan-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 81328589

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine (CID 115776721) is 1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine is CC(NCC1CCOC1)c1ccc(Cl)nc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is SAOHZCSLZCOFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9(11-2-3-12(13)15-7-11)14-6-10-4-5-16-8-10/h2-3,7,9-10,14H,4-6,8H2,1H3.
What are the key properties of 1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine?
1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 240.73 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 115776721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).