1-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]propan-2-ol

C15H25NO2 — CID 82313601

IUPAC1-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]propan-2-ol
SMILESCC(O)CNCC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-11(17)9-16-10-14(18)12-5-7-13(8-6-12)15(2,3)4/h5-8,11,14,16-18H,9-10H2,1-4H3
InChIKeyLDCDWPFIFSNIAN-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.99
Rot. Bonds5

About 1-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]propan-2-ol

1-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]propan-2-ol (PubChem CID 82313601) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]propan-2-ol
PubChem CID82313601
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]propan-2-ol
SMILESCC(O)CNCC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-11(17)9-16-10-14(18)12-5-7-13(8-6-12)15(2,3)4/h5-8,11,14,16-18H,9-10H2,1-4H3
InChIKeyLDCDWPFIFSNIAN-UHFFFAOYSA-N
XLogP1.99
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol
CID 39352535
1-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]propan-2-ol
CID 60909721
(2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol
CID 39244971
(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
(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]butanamide
CID 119792655
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
1-[2-[(4-tert-butylphenyl)methyl]prop-2-enylamino]propan-2-ol
CID 155908446
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea
CID 111422305

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]propan-2-ol?
The IUPAC name of 1-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]propan-2-ol (CID 82313601) is 1-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]propan-2-ol.
What is the SMILES notation for 1-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]propan-2-ol?
The canonical SMILES for 1-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]propan-2-ol is CC(O)CNCC(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]propan-2-ol?
The InChIKey is LDCDWPFIFSNIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(17)9-16-10-14(18)12-5-7-13(8-6-12)15(2,3)4/h5-8,11,14,16-18H,9-10H2,1-4H3.
What are the key properties of 1-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]propan-2-ol?
1-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]propan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]propan-2-ol is sourced from PubChem (CID 82313601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).