[3-chloro-6-(2-propoxyethoxy)-2-pyridinyl]methanamine

C11H17ClN2O2 — CID 63684959

IUPAC[3-chloro-6-(2-propoxyethoxy)-2-pyridinyl]methanamine
SMILESCCCOCCOc1ccc(Cl)c(CN)n1
InChIInChI=1S/C11H17ClN2O2/c1-2-5-15-6-7-16-11-4-3-9(12)10(8-13)14-11/h3-4H,2,5-8,13H2,1H3
InChIKeyMIUREVBPZHMGIY-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.00
Rot. Bonds7

About [3-chloro-6-(2-propoxyethoxy)-2-pyridinyl]methanamine

[3-chloro-6-(2-propoxyethoxy)-2-pyridinyl]methanamine (PubChem CID 63684959) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is [3-chloro-6-(2-propoxyethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-6-(2-propoxyethoxy)-2-pyridinyl]methanamine
PubChem CID63684959
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name[3-chloro-6-(2-propoxyethoxy)-2-pyridinyl]methanamine
SMILESCCCOCCOc1ccc(Cl)c(CN)n1
InChIInChI=1S/C11H17ClN2O2/c1-2-5-15-6-7-16-11-4-3-9(12)10(8-13)14-11/h3-4H,2,5-8,13H2,1H3
InChIKeyMIUREVBPZHMGIY-UHFFFAOYSA-N
XLogP2.00
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanamine
CID 103405839
3-[[6-(aminomethyl)-5-chloro-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 62295963
(6-but-3-enoxy-3-chloro-2-pyridinyl)methanamine
CID 62289507
(3-chloro-6-methoxy-2-pyridinyl)methanamine;hydrochloride
CID 171363984
(6-but-2-enoxy-3-chloro-2-pyridinyl)methanamine
CID 76938382
N-[[3-chloro-6-(2-ethoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 62291916
(3-chloro-6-propan-2-yloxy-2-pyridinyl)methanamine
CID 62290164
[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanol
CID 103403961
[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol
CID 61257163
2-methoxy-6-(2-propoxyethoxy)pyridin-3-amine
CID 63686513
3-chloro-2-fluoro-6-propoxypyridine
CID 125116294
1-(3-chloro-6-octoxy-2-pyridinyl)-N-methylmethanamine
CID 55194459

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(2-propoxyethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [3-chloro-6-(2-propoxyethoxy)-2-pyridinyl]methanamine (CID 63684959) is [3-chloro-6-(2-propoxyethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-6-(2-propoxyethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-6-(2-propoxyethoxy)-2-pyridinyl]methanamine is CCCOCCOc1ccc(Cl)c(CN)n1.
What is the InChIKey of [3-chloro-6-(2-propoxyethoxy)-2-pyridinyl]methanamine?
The InChIKey is MIUREVBPZHMGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-2-5-15-6-7-16-11-4-3-9(12)10(8-13)14-11/h3-4H,2,5-8,13H2,1H3.
What are the key properties of [3-chloro-6-(2-propoxyethoxy)-2-pyridinyl]methanamine?
[3-chloro-6-(2-propoxyethoxy)-2-pyridinyl]methanamine has a molecular weight of 244.72 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(2-propoxyethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 63684959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).