(1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol

C16H27NO — CID 39352535

IUPAC(1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol
SMILESCC(C)(C)NC[C@@H](O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NO/c1-15(2,3)13-9-7-12(8-10-13)14(18)11-17-16(4,5)6/h7-10,14,17-18H,11H2,1-6H3/t14-/m1/s1
InChIKeyMXEWBIMMZSDMHS-CQSZACIVSA-N
MW249.40 g/mol
LogP3.41
Rot. Bonds3

About (1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol

(1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol (PubChem CID 39352535) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol
PubChem CID39352535
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol
SMILESCC(C)(C)NC[C@@H](O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NO/c1-15(2,3)13-9-7-12(8-10-13)14(18)11-17-16(4,5)6/h7-10,14,17-18H,11H2,1-6H3/t14-/m1/s1
InChIKeyMXEWBIMMZSDMHS-CQSZACIVSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol
CID 39247269
1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride
CID 172679747
4-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diol
CID 24994231
1-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]propan-2-ol
CID 82313601
2-(tert-butylamino)-1-(4-ethoxyphenyl)ethanol
CID 62774522
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol
CID 62775298
2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol
CID 114520400
(1S)-2-bromo-1-(4-tert-butylphenyl)ethanol
CID 83000693
2-bromo-1-(4-tert-butylphenyl)ethanol
CID 79021934
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119328649

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol?
The IUPAC name of (1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol (CID 39352535) is (1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol.
What is the SMILES notation for (1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol?
The canonical SMILES for (1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol is CC(C)(C)NC[C@@H](O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol?
The InChIKey is MXEWBIMMZSDMHS-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27NO/c1-15(2,3)13-9-7-12(8-10-13)14(18)11-17-16(4,5)6/h7-10,14,17-18H,11H2,1-6H3/t14-/m1/s1.
What are the key properties of (1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol?
(1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol has a molecular weight of 249.40 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol is sourced from PubChem (CID 39352535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).