1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol

C15H23NO — CID 62775298

IUPAC1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol
SMILESCC(C)(C)c1ccc(C(O)CNC2CC2)cc1
InChIInChI=1S/C15H23NO/c1-15(2,3)12-6-4-11(5-7-12)14(17)10-16-13-8-9-13/h4-7,13-14,16-17H,8-10H2,1-3H3
InChIKeyXJFQSWDSTQAKHV-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.77
Rot. Bonds4

About 1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol

1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol (PubChem CID 62775298) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol
PubChem CID62775298
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol
SMILESCC(C)(C)c1ccc(C(O)CNC2CC2)cc1
InChIInChI=1S/C15H23NO/c1-15(2,3)12-6-4-11(5-7-12)14(17)10-16-13-8-9-13/h4-7,13-14,16-17H,8-10H2,1-3H3
InChIKeyXJFQSWDSTQAKHV-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]ethanone
CID 111422185
1-(4-aminophenyl)-2-(cyclopropylamino)ethanol
CID 115019175
1-(4-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride
CID 163728871
1-(4-chlorophenyl)-2-[(4-methylcyclohexyl)amino]ethanol
CID 60724617
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60900441
(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
CID 39350104
(1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol
CID 39352535
1-[4-(tert-butylsulfamoylamino)phenyl]-2-(cyclopropylamino)ethanol;hydrobromide
CID 21416980
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 111750704
2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
1-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]propan-2-ol
CID 82313601
1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
CID 60724687

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol (CID 62775298) is 1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol is CC(C)(C)c1ccc(C(O)CNC2CC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol?
The InChIKey is XJFQSWDSTQAKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,3)12-6-4-11(5-7-12)14(17)10-16-13-8-9-13/h4-7,13-14,16-17H,8-10H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol?
1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol has a molecular weight of 233.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol is sourced from PubChem (CID 62775298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).