2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol

C13H22N2O2 — CID 134462825

IUPAC2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol
SMILESCC(C)(O)OCCCNCCc1ccccn1
InChIInChI=1S/C13H22N2O2/c1-13(2,16)17-11-5-8-14-10-7-12-6-3-4-9-15-12/h3-4,6,9,14,16H,5,7-8,10-11H2,1-2H3
InChIKeyKFCZPPZPFUIHPL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.35
Rot. Bonds8

About 2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol

2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol (PubChem CID 134462825) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol.

Molecular Properties

Compound Name2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol
PubChem CID134462825
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol
SMILESCC(C)(O)OCCCNCCc1ccccn1
InChIInChI=1S/C13H22N2O2/c1-13(2,16)17-11-5-8-14-10-7-12-6-3-4-9-15-12/h3-4,6,9,14,16H,5,7-8,10-11H2,1-2H3
InChIKeyKFCZPPZPFUIHPL-UHFFFAOYSA-N
XLogP1.35
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-pyridin-2-ylethylamino)propoxy]ethanol
CID 106310050
3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
CID 115200835
tert-butyl 2-(2-pyridin-2-ylethylamino)acetate
CID 60680814
acetic acid;N-(2-pyridin-2-ylethyl)octan-1-amine
CID 71328789
N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
CID 11530463
N-(2-tert-butylsulfonylethyl)-2-pyridin-2-ylethanamine
CID 113245480
3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol
CID 106146853
2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360
N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 59134802
3-(2-pyridin-2-ylethylamino)propanoic acid
CID 28830364
2-methyl-4-pyridin-2-ylbutan-2-ol
CID 145217393
2-methyl-N-(3-pyridin-2-ylpropyl)propan-2-amine
CID 62549888

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol?
The IUPAC name of 2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol (CID 134462825) is 2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol.
What is the SMILES notation for 2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol?
The canonical SMILES for 2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol is CC(C)(O)OCCCNCCc1ccccn1.
What is the InChIKey of 2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol?
The InChIKey is KFCZPPZPFUIHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2,16)17-11-5-8-14-10-7-12-6-3-4-9-15-12/h3-4,6,9,14,16H,5,7-8,10-11H2,1-2H3.
What are the key properties of 2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol?
2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol is sourced from PubChem (CID 134462825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).