3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol

C17H29NO — CID 81414849

IUPAC3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
SMILESCC(NCC(C)(C)CO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(18-11-17(5,6)12-19)14-7-9-15(10-8-14)16(2,3)4/h7-10,13,18-19H,11-12H2,1-6H3
InChIKeyYIHXSJSFVJKMDA-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.65
Rot. Bonds5

About 3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol

3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol (PubChem CID 81414849) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
PubChem CID81414849
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
SMILESCC(NCC(C)(C)CO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(18-11-17(5,6)12-19)14-7-9-15(10-8-14)16(2,3)4/h7-10,13,18-19H,11-12H2,1-6H3
InChIKeyYIHXSJSFVJKMDA-UHFFFAOYSA-N
XLogP3.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115359024
3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81411928
1-[1-(4-tert-butylphenyl)ethylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 103717064
2,2-dimethyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propan-1-ol
CID 115359124
3-[1-(2-chloro-4-pyridinyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115894976
3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol
CID 103787637
2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol
CID 81414185
3-[1-(furan-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414268
3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol
CID 81411975
3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-1-ol
CID 103787561
3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115359127
1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105631

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol (CID 81414849) is 3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol is CC(NCC(C)(C)CO)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is YIHXSJSFVJKMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(18-11-17(5,6)12-19)14-7-9-15(10-8-14)16(2,3)4/h7-10,13,18-19H,11-12H2,1-6H3.
What are the key properties of 3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol?
3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 263.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81414849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).