[2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine

C13H19F3N2O3 — CID 103176685

IUPAC[2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCOCCCOCCOc1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C13H19F3N2O3/c1-19-5-2-6-20-7-8-21-12-10(9-17)3-4-11(18-12)13(14,15)16/h3-4H,2,5-9,17H2,1H3
InChIKeyCSTOQPCPZRVXTK-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.99
Rot. Bonds9

About [2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 103176685) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is [2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID103176685
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC Name[2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCOCCCOCCOc1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C13H19F3N2O3/c1-19-5-2-6-20-7-8-21-12-10(9-17)3-4-11(18-12)13(14,15)16/h3-4H,2,5-9,17H2,1H3
InChIKeyCSTOQPCPZRVXTK-UHFFFAOYSA-N
XLogP1.99
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.99
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

2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103177581
[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 126564818
N-[2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102739699
3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-6-(trifluoromethyl)pyridin-2-amine
CID 79869057
[2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79874080
acetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 171929343
[3-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-pyridinyl]methanamine
CID 105391741
[2-[(4-tert-butylphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873264
[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine
CID 104559827
[2-(pyridin-4-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873449
4-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridin-3-amine
CID 106748589
[5-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine
CID 103400813

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 103176685) is [2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine is COCCCOCCOc1nc(C(F)(F)F)ccc1CN.
What is the InChIKey of [2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is CSTOQPCPZRVXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c1-19-5-2-6-20-7-8-21-12-10(9-17)3-4-11(18-12)13(14,15)16/h3-4H,2,5-9,17H2,1H3.
What are the key properties of [2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 308.30 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 103176685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).