1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol

C16H27NO2 — CID 115609672

IUPAC1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
SMILESCCCC(C)(C)NCC(O)COc1cccc(C)c1
InChIInChI=1S/C16H27NO2/c1-5-9-16(3,4)17-11-14(18)12-19-15-8-6-7-13(2)10-15/h6-8,10,14,17-18H,5,9,11-12H2,1-4H3
InChIKeyXCSDXOHLIBGBGC-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.90
Rot. Bonds8

About 1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol

1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol (PubChem CID 115609672) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
PubChem CID115609672
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
SMILESCCCC(C)(C)NCC(O)COc1cccc(C)c1
InChIInChI=1S/C16H27NO2/c1-5-9-16(3,4)17-11-14(18)12-19-15-8-6-7-13(2)10-15/h6-8,10,14,17-18H,5,9,11-12H2,1-4H3
InChIKeyXCSDXOHLIBGBGC-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 115609480
1-(4-fluorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol
CID 115609743
1-(3-methylphenoxy)butan-2-ol
CID 13089920
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(3-methylphenoxy)propan-2-ol
CID 23330538
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
2,2-difluoro-3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propan-1-ol
CID 106176703
(2R)-1-(3-methylphenoxy)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 97238525
3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol
CID 106285812
2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 44785140
1-(heptan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 60635442
(2S)-2-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,3-dimethylbutanamide
CID 119751623
1-(3-methylphenoxy)-3-(2-methylsulfanylanilino)propan-2-ol
CID 107644730

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol (CID 115609672) is 1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol is CCCC(C)(C)NCC(O)COc1cccc(C)c1.
What is the InChIKey of 1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is XCSDXOHLIBGBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-9-16(3,4)17-11-14(18)12-19-15-8-6-7-13(2)10-15/h6-8,10,14,17-18H,5,9,11-12H2,1-4H3.
What are the key properties of 1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol?
1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 115609672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).