1-(4-tert-butylphenyl)-2-(2-hydroxyethylamino)butan-1-ol

C16H27NO2 — CID 82313635

IUPAC1-(4-tert-butylphenyl)-2-(2-hydroxyethylamino)butan-1-ol
SMILESCCC(NCCO)C(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-5-14(17-10-11-18)15(19)12-6-8-13(9-7-12)16(2,3)4/h6-9,14-15,17-19H,5,10-11H2,1-4H3
InChIKeyKWUMZHGYRVIFNZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.38
Rot. Bonds6

About 1-(4-tert-butylphenyl)-2-(2-hydroxyethylamino)butan-1-ol

1-(4-tert-butylphenyl)-2-(2-hydroxyethylamino)butan-1-ol (PubChem CID 82313635) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(2-hydroxyethylamino)butan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(2-hydroxyethylamino)butan-1-ol
PubChem CID82313635
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(4-tert-butylphenyl)-2-(2-hydroxyethylamino)butan-1-ol
SMILESCCC(NCCO)C(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-5-14(17-10-11-18)15(19)12-6-8-13(9-7-12)16(2,3)4/h6-9,14-15,17-19H,5,10-11H2,1-4H3
InChIKeyKWUMZHGYRVIFNZ-UHFFFAOYSA-N
XLogP2.38
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-2-ethylbutan-1-ol
CID 63426874
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
2-(4-tert-butylphenyl)-N-propylpentan-3-amine
CID 79307383
1-(4-fluorophenyl)-2-(propylamino)butan-1-ol
CID 82313150
1,2-bis(4-tert-butylphenyl)ethane-1,2-diol
CID 21199328
2-(ethylamino)-1-(4-propan-2-ylphenyl)butan-1-ol
CID 82312822
2-[2-(diethylamino)ethylamino]-1-(4-methylphenyl)butan-1-ol
CID 82312387
2-(4-tert-butylphenyl)-2-(propylamino)ethanol
CID 61054986
2-(hexylamino)-1-(4-methoxyphenyl)butan-1-ol
CID 82313925
4-[[1-hydroxy-1-(4-methylphenyl)butan-2-yl]amino]butanoic acid
CID 82312389
1-(4-ethylphenyl)-2-(2-hydroxyethylamino)propan-1-ol
CID 82312644
(1S,2S)-2-(1H-pyrrol-3-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 97048204

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(2-hydroxyethylamino)butan-1-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(2-hydroxyethylamino)butan-1-ol (CID 82313635) is 1-(4-tert-butylphenyl)-2-(2-hydroxyethylamino)butan-1-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(2-hydroxyethylamino)butan-1-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(2-hydroxyethylamino)butan-1-ol is CCC(NCCO)C(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(2-hydroxyethylamino)butan-1-ol?
The InChIKey is KWUMZHGYRVIFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-14(17-10-11-18)15(19)12-6-8-13(9-7-12)16(2,3)4/h6-9,14-15,17-19H,5,10-11H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(2-hydroxyethylamino)butan-1-ol?
1-(4-tert-butylphenyl)-2-(2-hydroxyethylamino)butan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(2-hydroxyethylamino)butan-1-ol is sourced from PubChem (CID 82313635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).