1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol

C16H27NO3 — CID 106989088

IUPAC1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol
SMILESCOCC(C)OCC(O)CNc1ccccc1C(C)C
InChIInChI=1S/C16H27NO3/c1-12(2)15-7-5-6-8-16(15)17-9-14(18)11-20-13(3)10-19-4/h5-8,12-14,17-18H,9-11H2,1-4H3
InChIKeyGSJSYAHSRFGJIO-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.63
Rot. Bonds9

About 1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol

1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol (PubChem CID 106989088) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol
PubChem CID106989088
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol
SMILESCOCC(C)OCC(O)CNc1ccccc1C(C)C
InChIInChI=1S/C16H27NO3/c1-12(2)15-7-5-6-8-16(15)17-9-14(18)11-20-13(3)10-19-4/h5-8,12-14,17-18H,9-11H2,1-4H3
InChIKeyGSJSYAHSRFGJIO-UHFFFAOYSA-N
XLogP2.63
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989033
1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989019
1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989282
1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989140
1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989374
2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-2-phenylpropan-1-ol
CID 106990619
1-(2-chloroanilino)-3-methoxypropan-2-ol
CID 63929228
1-(2-ethoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60898993
1-[[2-(methoxymethyl)phenyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989494
1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol
CID 60902154
1-(1-methoxypropan-2-yloxy)-3-(2,4,6-trifluoroanilino)propan-2-ol
CID 106990092
1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989052

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol (CID 106989088) is 1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol is COCC(C)OCC(O)CNc1ccccc1C(C)C.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol?
The InChIKey is GSJSYAHSRFGJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12(2)15-7-5-6-8-16(15)17-9-14(18)11-20-13(3)10-19-4/h5-8,12-14,17-18H,9-11H2,1-4H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol?
1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol is sourced from PubChem (CID 106989088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).