1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol

C15H26N2O3 — CID 81401996

IUPAC1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
SMILESCC(C)OCCOCC(O)CN[C@@H](C)c1ccccn1
InChIInChI=1S/C15H26N2O3/c1-12(2)20-9-8-19-11-14(18)10-17-13(3)15-6-4-5-7-16-15/h4-7,12-14,17-18H,8-11H2,1-3H3/t13-,14?/m0/s1
InChIKeyKZUFRVPWTQDZEW-LSLKUGRBSA-N
MW282.38 g/mol
LogP1.53
Rot. Bonds10

About 1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol

1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol (PubChem CID 81401996) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
PubChem CID81401996
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
SMILESCC(C)OCCOCC(O)CN[C@@H](C)c1ccccn1
InChIInChI=1S/C15H26N2O3/c1-12(2)20-9-8-19-11-14(18)10-17-13(3)15-6-4-5-7-16-15/h4-7,12-14,17-18H,8-11H2,1-3H3/t13-,14?/m0/s1
InChIKeyKZUFRVPWTQDZEW-LSLKUGRBSA-N
XLogP1.53
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.53
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-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81407338
1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol
CID 81401299
1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81402245
1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81391897
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81392297
1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 81355790
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylethanamine
CID 106452331
1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81392661
2-ethyl-N-[(1R)-1-pyridin-2-ylethyl]butan-1-amine
CID 28647872
1-cyclopropyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 63294348
1-phenyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81407252

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol?
The IUPAC name of 1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol (CID 81401996) is 1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol?
The canonical SMILES for 1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol is CC(C)OCCOCC(O)CN[C@@H](C)c1ccccn1.
What is the InChIKey of 1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol?
The InChIKey is KZUFRVPWTQDZEW-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-12(2)20-9-8-19-11-14(18)10-17-13(3)15-6-4-5-7-16-15/h4-7,12-14,17-18H,8-11H2,1-3H3/t13-,14?/m0/s1.
What are the key properties of 1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol?
1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol has a molecular weight of 282.38 g/mol, XLogP of 1.53, 10 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-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol is sourced from PubChem (CID 81401996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).