1-(2-pyridin-3-ylethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol

C15H20N2O2S — CID 60909003

IUPAC1-(2-pyridin-3-ylethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(CNCCc1cccnc1)COCc1cccs1
InChIInChI=1S/C15H20N2O2S/c18-14(11-19-12-15-4-2-8-20-15)10-17-7-5-13-3-1-6-16-9-13/h1-4,6,8-9,14,17-18H,5,7,10-12H2
InChIKeyYNNASJPWTGKWNA-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.85
Rot. Bonds9

About 1-(2-pyridin-3-ylethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol

1-(2-pyridin-3-ylethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 60909003) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(2-pyridin-3-ylethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-pyridin-3-ylethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID60909003
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-(2-pyridin-3-ylethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(CNCCc1cccnc1)COCc1cccs1
InChIInChI=1S/C15H20N2O2S/c18-14(11-19-12-15-4-2-8-20-15)10-17-7-5-13-3-1-6-16-9-13/h1-4,6,8-9,14,17-18H,5,7,10-12H2
InChIKeyYNNASJPWTGKWNA-UHFFFAOYSA-N
XLogP1.85
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(furan-2-yl)ethylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 54907292
1-[(4-methyl-3-pyridinyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 114955607
1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
CID 106989465
1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61167409
1-[2-(cyclohexen-1-yl)ethylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60634710
1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60632328
1-(3-methylsulfanylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 63966458
(2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2119639
1-(furan-2-ylmethoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol
CID 60633593
1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61171076
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
CID 60908884

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-3-ylethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(2-pyridin-3-ylethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 60909003) is 1-(2-pyridin-3-ylethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-pyridin-3-ylethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(2-pyridin-3-ylethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol is OC(CNCCc1cccnc1)COCc1cccs1.
What is the InChIKey of 1-(2-pyridin-3-ylethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is YNNASJPWTGKWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c18-14(11-19-12-15-4-2-8-20-15)10-17-7-5-13-3-1-6-16-9-13/h1-4,6,8-9,14,17-18H,5,7,10-12H2.
What are the key properties of 1-(2-pyridin-3-ylethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-(2-pyridin-3-ylethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 292.40 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-3-ylethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 60909003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).