1-(6-chloro-3-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine

C12H17ClN2O — CID 115776741

IUPAC1-(6-chloro-3-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
SMILESCC(NCC1(C)COC1)c1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2O/c1-9(10-3-4-11(13)14-5-10)15-6-12(2)7-16-8-12/h3-5,9,15H,6-8H2,1-2H3
InChIKeyANTMDXBSVPWYCP-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.42
Rot. Bonds4

About 1-(6-chloro-3-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine

1-(6-chloro-3-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine (PubChem CID 115776741) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
PubChem CID115776741
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-(6-chloro-3-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
SMILESCC(NCC1(C)COC1)c1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2O/c1-9(10-3-4-11(13)14-5-10)15-6-12(2)7-16-8-12/h3-5,9,15H,6-8H2,1-2H3
InChIKeyANTMDXBSVPWYCP-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-(2-chloro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 115719757
[1-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]cyclopropyl]methanol
CID 115776769
N-[1-(6-chloro-3-pyridinyl)ethyl]-3-methyloxolan-3-amine
CID 115922615
1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 115776721
(1R)-1-(3-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 81382574
(1R)-1-(3-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 81365715
N-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine
CID 115776708
(1R)-1-(2-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 81379729
N-[1-(6-chloro-3-pyridinyl)ethyl]-1-ethylcyclobutan-1-amine
CID 115920873
N-[1-(6-chloro-3-pyridinyl)ethyl]-3-ethoxypropan-1-amine
CID 115776636
6-chloro-N-(3-methyloxetan-3-yl)pyridin-3-amine
CID 172624233
1-(2-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine
CID 103783466

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine (CID 115776741) is 1-(6-chloro-3-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine is CC(NCC1(C)COC1)c1ccc(Cl)nc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
The InChIKey is ANTMDXBSVPWYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9(10-3-4-11(13)14-5-10)15-6-12(2)7-16-8-12/h3-5,9,15H,6-8H2,1-2H3.
What are the key properties of 1-(6-chloro-3-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
1-(6-chloro-3-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]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-[(3-methyloxetan-3-yl)methyl]ethanamine is sourced from PubChem (CID 115776741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).