1-(2-methoxyethoxy)-N-(pyridin-3-ylmethyl)propan-2-amine

C12H20N2O2 — CID 115655378

IUPAC1-(2-methoxyethoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
SMILESCOCCOCC(C)NCc1cccnc1
InChIInChI=1S/C12H20N2O2/c1-11(10-16-7-6-15-2)14-9-12-4-3-5-13-8-12/h3-5,8,11,14H,6-7,9-10H2,1-2H3
InChIKeyZBGLPSLTCTTYJP-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.22
Rot. Bonds8

About 1-(2-methoxyethoxy)-N-(pyridin-3-ylmethyl)propan-2-amine

1-(2-methoxyethoxy)-N-(pyridin-3-ylmethyl)propan-2-amine (PubChem CID 115655378) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-N-(pyridin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
PubChem CID115655378
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(2-methoxyethoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
SMILESCOCCOCC(C)NCc1cccnc1
InChIInChI=1S/C12H20N2O2/c1-11(10-16-7-6-15-2)14-9-12-4-3-5-13-8-12/h3-5,8,11,14H,6-7,9-10H2,1-2H3
InChIKeyZBGLPSLTCTTYJP-UHFFFAOYSA-N
XLogP1.22
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.22
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

(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 104868129
1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 61167930
methyl (2S)-2-(pyridin-3-ylmethylamino)propanoate
CID 43723601
4-chloro-N-(pyridin-3-ylmethyl)butan-2-amine
CID 83187736
1-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-2-amine
CID 115655367
(2S)-1-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 97321622
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035
2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17294523
(4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol
CID 97051697
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 54864314
N-[(2S)-1-(2-methoxyethoxy)propan-2-yl]-2-pyridin-3-yloxybenzamide
CID 95777270

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-N-(pyridin-3-ylmethyl)propan-2-amine?
The IUPAC name of 1-(2-methoxyethoxy)-N-(pyridin-3-ylmethyl)propan-2-amine (CID 115655378) is 1-(2-methoxyethoxy)-N-(pyridin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(2-methoxyethoxy)-N-(pyridin-3-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(2-methoxyethoxy)-N-(pyridin-3-ylmethyl)propan-2-amine is COCCOCC(C)NCc1cccnc1.
What is the InChIKey of 1-(2-methoxyethoxy)-N-(pyridin-3-ylmethyl)propan-2-amine?
The InChIKey is ZBGLPSLTCTTYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-11(10-16-7-6-15-2)14-9-12-4-3-5-13-8-12/h3-5,8,11,14H,6-7,9-10H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)-N-(pyridin-3-ylmethyl)propan-2-amine?
1-(2-methoxyethoxy)-N-(pyridin-3-ylmethyl)propan-2-amine has a molecular weight of 224.30 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-N-(pyridin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 115655378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).