1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine

C14H24N2O3 — CID 103176909

IUPAC1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine
SMILESCOCCCOCCOC(c1cccnc1)C(C)N
InChIInChI=1S/C14H24N2O3/c1-12(15)14(13-5-3-6-16-11-13)19-10-9-18-8-4-7-17-2/h3,5-6,11-12,14H,4,7-10,15H2,1-2H3
InChIKeyTZEHFPAHCLEZDS-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.54
Rot. Bonds10

About 1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine

1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine (PubChem CID 103176909) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine
PubChem CID103176909
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine
SMILESCOCCCOCCOC(c1cccnc1)C(C)N
InChIInChI=1S/C14H24N2O3/c1-12(15)14(13-5-3-6-16-11-13)19-10-9-18-8-4-7-17-2/h3,5-6,11-12,14H,4,7-10,15H2,1-2H3
InChIKeyTZEHFPAHCLEZDS-UHFFFAOYSA-N
XLogP1.54
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.54
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

1-(3,3-dimethylbutoxy)-1-pyridin-3-ylpropan-2-amine
CID 66233116
1-[3-(2-methoxyethoxy)propoxy]-1-(3-methylphenyl)propan-2-amine
CID 103401421
1-[2-(2-methylpropoxy)ethoxy]-1-pyridin-3-ylbutan-2-amine
CID 106446893
1-[2-(3-methoxypropoxy)ethoxy]-1-(2-methylphenyl)propan-2-amine
CID 103176903
1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
CID 103401330
1-(4-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
CID 103401203
1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine
CID 55019323
1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine
CID 104560177
1-[2-(3-methoxypropoxy)ethoxy]-1-(5-methylfuran-2-yl)propan-2-amine
CID 103176978
3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine
CID 28673557
1-[2-(3-methoxypropoxy)ethoxy]-1-(3-methylthiophen-2-yl)propan-2-amine
CID 103176953
(4-methoxy-1-pyridin-3-ylbutyl)hydrazine
CID 105196232

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine (CID 103176909) is 1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine is COCCCOCCOC(c1cccnc1)C(C)N.
What is the InChIKey of 1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine?
The InChIKey is TZEHFPAHCLEZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-12(15)14(13-5-3-6-16-11-13)19-10-9-18-8-4-7-17-2/h3,5-6,11-12,14H,4,7-10,15H2,1-2H3.
What are the key properties of 1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine?
1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine has a molecular weight of 268.36 g/mol, XLogP of 1.54, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 103176909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).