1-[(2-ethoxy-2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol

C16H27NO3 — CID 114941993

IUPAC1-[(2-ethoxy-2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCCOC(C)(C)CNCC(O)COc1ccccc1C
InChIInChI=1S/C16H27NO3/c1-5-20-16(3,4)12-17-10-14(18)11-19-15-9-7-6-8-13(15)2/h6-9,14,17-18H,5,10-12H2,1-4H3
InChIKeyYQHLFQLKOZRZBJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.14
Rot. Bonds9

About 1-[(2-ethoxy-2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol

1-[(2-ethoxy-2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 114941993) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[(2-ethoxy-2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2-ethoxy-2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID114941993
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[(2-ethoxy-2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCCOC(C)(C)CNCC(O)COc1ccccc1C
InChIInChI=1S/C16H27NO3/c1-5-20-16(3,4)12-17-10-14(18)11-19-15-9-7-6-8-13(15)2/h6-9,14,17-18H,5,10-12H2,1-4H3
InChIKeyYQHLFQLKOZRZBJ-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
1-(4-chloro-3-methylphenoxy)-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol
CID 114941799
1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632285
1-[(2-ethoxy-2-methylpropyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 114942117
1-(2-methylphenoxy)-3-(octylamino)propan-2-ol
CID 12548704
1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 60632137
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol
CID 13104426
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60634071
1-[(2-ethoxy-2-methylpropyl)amino]-3-methoxypropan-2-ol
CID 114942086
1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol
CID 62273853

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[(2-ethoxy-2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol (CID 114941993) is 1-[(2-ethoxy-2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(2-ethoxy-2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(2-ethoxy-2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol is CCOC(C)(C)CNCC(O)COc1ccccc1C.
What is the InChIKey of 1-[(2-ethoxy-2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is YQHLFQLKOZRZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-20-16(3,4)12-17-10-14(18)11-19-15-9-7-6-8-13(15)2/h6-9,14,17-18H,5,10-12H2,1-4H3.
What are the key properties of 1-[(2-ethoxy-2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol?
1-[(2-ethoxy-2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 114941993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).