2-(2,3-dimethylbutylamino)-1-(4-propan-2-ylphenyl)ethanol

C17H29NO — CID 64569516

IUPAC2-(2,3-dimethylbutylamino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CNCC(C)C(C)C)cc1
InChIInChI=1S/C17H29NO/c1-12(2)14(5)10-18-11-17(19)16-8-6-15(7-9-16)13(3)4/h6-9,12-14,17-19H,10-11H2,1-5H3
InChIKeyVSLFSMZYGLMEIH-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.73
Rot. Bonds7

About 2-(2,3-dimethylbutylamino)-1-(4-propan-2-ylphenyl)ethanol

2-(2,3-dimethylbutylamino)-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 64569516) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(2,3-dimethylbutylamino)-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(2,3-dimethylbutylamino)-1-(4-propan-2-ylphenyl)ethanol
PubChem CID64569516
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-(2,3-dimethylbutylamino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CNCC(C)C(C)C)cc1
InChIInChI=1S/C17H29NO/c1-12(2)14(5)10-18-11-17(19)16-8-6-15(7-9-16)13(3)4/h6-9,12-14,17-19H,10-11H2,1-5H3
InChIKeyVSLFSMZYGLMEIH-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-4-methylpentan-2-ol
CID 107152724
1-cyclopropyl-2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]ethanol
CID 63296177
2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897047
2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63964232
1-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylbutylamino)ethanol
CID 64597062
3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-2,2-dimethylpropan-1-ol
CID 115359762
1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol
CID 63227305
4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid
CID 82312764
2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63967355
2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 54934596
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol
CID 60909048

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutylamino)-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(2,3-dimethylbutylamino)-1-(4-propan-2-ylphenyl)ethanol (CID 64569516) is 2-(2,3-dimethylbutylamino)-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(2,3-dimethylbutylamino)-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(2,3-dimethylbutylamino)-1-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(C(O)CNCC(C)C(C)C)cc1.
What is the InChIKey of 2-(2,3-dimethylbutylamino)-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is VSLFSMZYGLMEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-12(2)14(5)10-18-11-17(19)16-8-6-15(7-9-16)13(3)4/h6-9,12-14,17-19H,10-11H2,1-5H3.
What are the key properties of 2-(2,3-dimethylbutylamino)-1-(4-propan-2-ylphenyl)ethanol?
2-(2,3-dimethylbutylamino)-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 263.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutylamino)-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 64569516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).