2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol

C15H23NO2 — CID 114520400

IUPAC2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol
SMILESCC(C)(C)NCC(O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C15H23NO2/c1-15(2,3)16-10-14(17)11-4-6-12(7-5-11)18-13-8-9-13/h4-7,13-14,16-17H,8-10H2,1-3H3
InChIKeyLJYATTKDZGFABK-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.65
Rot. Bonds5

About 2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol

2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol (PubChem CID 114520400) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol
PubChem CID114520400
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol
SMILESCC(C)(C)NCC(O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C15H23NO2/c1-15(2,3)16-10-14(17)11-4-6-12(7-5-11)18-13-8-9-13/h4-7,13-14,16-17H,8-10H2,1-3H3
InChIKeyLJYATTKDZGFABK-UHFFFAOYSA-N
XLogP2.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-1-(4-ethoxyphenyl)ethanol
CID 62774522
1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol
CID 114519028
1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride
CID 172679747
(1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol
CID 39352535
1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol
CID 114519068
(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol
CID 39247269
1-(4-cyclopropyloxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 114519008
2-cyclopentyl-1-(4-cyclopropyloxyphenyl)ethanol
CID 115838412
1-(4-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114519020
1-(4-cyclopropyloxyphenyl)-2-ethoxy-2-methylbutan-1-ol
CID 114519162
cyclobutyl-(4-cyclopropyloxyphenyl)methanol
CID 114518671

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol?
The IUPAC name of 2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol (CID 114520400) is 2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol is CC(C)(C)NCC(O)c1ccc(OC2CC2)cc1.
What is the InChIKey of 2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol?
The InChIKey is LJYATTKDZGFABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2,3)16-10-14(17)11-4-6-12(7-5-11)18-13-8-9-13/h4-7,13-14,16-17H,8-10H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol?
2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol has a molecular weight of 249.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol is sourced from PubChem (CID 114520400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).