2-(4-tert-butylphenyl)-3-(dimethylamino)propan-1-ol

C15H25NO — CID 59446202

IUPAC2-(4-tert-butylphenyl)-3-(dimethylamino)propan-1-ol
SMILESCN(C)CC(CO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO/c1-15(2,3)14-8-6-12(7-9-14)13(11-17)10-16(4)5/h6-9,13,17H,10-11H2,1-5H3
InChIKeyGAYAGKPXXDCEQG-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.62
Rot. Bonds4

About 2-(4-tert-butylphenyl)-3-(dimethylamino)propan-1-ol

2-(4-tert-butylphenyl)-3-(dimethylamino)propan-1-ol (PubChem CID 59446202) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3-(dimethylamino)propan-1-ol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-3-(dimethylamino)propan-1-ol
PubChem CID59446202
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(4-tert-butylphenyl)-3-(dimethylamino)propan-1-ol
SMILESCN(C)CC(CO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO/c1-15(2,3)14-8-6-12(7-9-14)13(11-17)10-16(4)5/h6-9,13,17H,10-11H2,1-5H3
InChIKeyGAYAGKPXXDCEQG-UHFFFAOYSA-N
XLogP2.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-2-(4-fluorophenyl)propan-1-ol
CID 117244762
2-(4-tert-butylphenyl)-N,N-dimethylbutane-1,4-diamine
CID 112516072
3-(dimethylamino)-2-pyridin-4-ylpropan-1-ol
CID 117246509
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
(2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride
CID 135564298
(4-tert-butylphenyl)-(dimethylamino)methanol
CID 116909511
1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium
CID 178166385
[1-(4-tert-butylphenyl)-2-phosphanylethyl]phosphane
CID 144560796
(4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine
CID 82106116
2-(4-tert-butylphenyl)-2-(propylamino)ethanol
CID 61054986
2-(4-pentan-3-ylphenyl)propan-2-ol
CID 117295268
(2R)-2-(4-tert-butylphenyl)-3-hydroxypropanoic acid
CID 129412348

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-3-(dimethylamino)propan-1-ol?
The IUPAC name of 2-(4-tert-butylphenyl)-3-(dimethylamino)propan-1-ol (CID 59446202) is 2-(4-tert-butylphenyl)-3-(dimethylamino)propan-1-ol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-3-(dimethylamino)propan-1-ol?
The canonical SMILES for 2-(4-tert-butylphenyl)-3-(dimethylamino)propan-1-ol is CN(C)CC(CO)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-3-(dimethylamino)propan-1-ol?
The InChIKey is GAYAGKPXXDCEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-15(2,3)14-8-6-12(7-9-14)13(11-17)10-16(4)5/h6-9,13,17H,10-11H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-3-(dimethylamino)propan-1-ol?
2-(4-tert-butylphenyl)-3-(dimethylamino)propan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-3-(dimethylamino)propan-1-ol is sourced from PubChem (CID 59446202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).