1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol

C15H26N2O3 — CID 60908753

IUPAC1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol
SMILESCC(C)OCCOCC(O)CNCCc1ccncc1
InChIInChI=1S/C15H26N2O3/c1-13(2)20-10-9-19-12-15(18)11-17-8-5-14-3-6-16-7-4-14/h3-4,6-7,13,15,17-18H,5,8-12H2,1-2H3
InChIKeyKKHDBXWQACCQLJ-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.02
Rot. Bonds11

About 1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol

1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol (PubChem CID 60908753) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol
PubChem CID60908753
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol
SMILESCC(C)OCCOCC(O)CNCCc1ccncc1
InChIInChI=1S/C15H26N2O3/c1-13(2)20-10-9-19-12-15(18)11-17-8-5-14-3-6-16-7-4-14/h3-4,6-7,13,15,17-18H,5,8-12H2,1-2H3
InChIKeyKKHDBXWQACCQLJ-UHFFFAOYSA-N
XLogP1.02
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine
CID 61485275
1-[2-(4-fluorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 60632265
1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 62989903
1-(2-propan-2-yloxyethoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633221
2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol
CID 114331941
1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol
CID 60633945
1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
CID 106989465
1-[(5-bromothiophen-2-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60743812
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
1-cyclopropyl-2-(2-pyridin-4-ylethylamino)ethanol
CID 63296814
4-hydroxy-5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 115122785
1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81401996

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol?
The IUPAC name of 1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol (CID 60908753) is 1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol?
The canonical SMILES for 1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol is CC(C)OCCOCC(O)CNCCc1ccncc1.
What is the InChIKey of 1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol?
The InChIKey is KKHDBXWQACCQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-13(2)20-10-9-19-12-15(18)11-17-8-5-14-3-6-16-7-4-14/h3-4,6-7,13,15,17-18H,5,8-12H2,1-2H3.
What are the key properties of 1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol?
1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol has a molecular weight of 282.38 g/mol, XLogP of 1.02, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol is sourced from PubChem (CID 60908753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).