[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanamine

C12H19ClN2O3 — CID 103405839

IUPAC[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanamine
SMILESCOCCOCCCOc1ccc(Cl)c(CN)n1
InChIInChI=1S/C12H19ClN2O3/c1-16-7-8-17-5-2-6-18-12-4-3-10(13)11(9-14)15-12/h3-4H,2,5-9,14H2,1H3
InChIKeyNUCLTXPAGHAKIV-UHFFFAOYSA-N
MW274.75 g/mol
LogP1.63
Rot. Bonds9

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

[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanamine (PubChem CID 103405839) has the molecular formula C12H19ClN2O3 and a molecular weight of 274.75 g/mol. Its IUPAC name is [3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanamine
PubChem CID103405839
Molecular FormulaC12H19ClN2O3
Molecular Weight274.75 g/mol
Exact Mass274.11
IUPAC Name[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanamine
SMILESCOCCOCCCOc1ccc(Cl)c(CN)n1
InChIInChI=1S/C12H19ClN2O3/c1-16-7-8-17-5-2-6-18-12-4-3-10(13)11(9-14)15-12/h3-4H,2,5-9,14H2,1H3
InChIKeyNUCLTXPAGHAKIV-UHFFFAOYSA-N
XLogP1.63
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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]methanol
CID 103403961
[3-chloro-6-(2-propoxyethoxy)-2-pyridinyl]methanamine
CID 63684959
3-[[6-(aminomethyl)-5-chloro-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 62295963
[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol
CID 61257163
(3-chloro-6-methoxy-2-pyridinyl)methanamine;hydrochloride
CID 171363984
[6-[3-(2-methoxyethoxy)propoxy]pyridazin-3-yl]methanamine
CID 103405953
(6-but-3-enoxy-3-chloro-2-pyridinyl)methanamine
CID 62289507
N-[[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62291624
N-[[3-chloro-6-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62288773
2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine
CID 103177517
(6-but-2-enoxy-3-chloro-2-pyridinyl)methanamine
CID 76938382
[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine
CID 103405668

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanamine?
The IUPAC name of [3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanamine (CID 103405839) is [3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanamine is COCCOCCCOc1ccc(Cl)c(CN)n1.
What is the InChIKey of [3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanamine?
The InChIKey is NUCLTXPAGHAKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3/c1-16-7-8-17-5-2-6-18-12-4-3-10(13)11(9-14)15-12/h3-4H,2,5-9,14H2,1H3.
What are the key properties of [3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanamine?
[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanamine has a molecular weight of 274.75 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanamine is sourced from PubChem (CID 103405839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).