2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol

C14H23NO — CID 62774526

IUPAC2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(C(O)CNC(C)(C)C)c1
InChIInChI=1S/C14H23NO/c1-10-6-7-11(2)12(8-10)13(16)9-15-14(3,4)5/h6-8,13,15-16H,9H2,1-5H3
InChIKeyLUMVQSBAHXMUFE-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.72
Rot. Bonds3

About 2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol

2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol (PubChem CID 62774526) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol
PubChem CID62774526
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(C(O)CNC(C)(C)C)c1
InChIInChI=1S/C14H23NO/c1-10-6-7-11(2)12(8-10)13(16)9-15-14(3,4)5/h6-8,13,15-16H,9H2,1-5H3
InChIKeyLUMVQSBAHXMUFE-UHFFFAOYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
1-(tert-butylamino)-3-(2,4-dimethylphenyl)sulfanylpropan-2-ol
CID 113317839
1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol
CID 65148482
N-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]propanamide
CID 82114517
1-(2,5-dimethylphenyl)-5-methylhexan-1-ol
CID 83158845
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol
CID 20684551
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
(1S)-2-(tert-butylamino)-1-(5-methyl-2-pyridinyl)ethanol;sulfane
CID 157303923
bis(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methylphenol);sulfuric acid
CID 127256212
3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol
CID 55200190
2-(dibutylamino)-1-(2,5-dimethylphenyl)ethanol
CID 63472284

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol?
The IUPAC name of 2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol (CID 62774526) is 2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol is Cc1ccc(C)c(C(O)CNC(C)(C)C)c1.
What is the InChIKey of 2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol?
The InChIKey is LUMVQSBAHXMUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-6-7-11(2)12(8-10)13(16)9-15-14(3,4)5/h6-8,13,15-16H,9H2,1-5H3.
What are the key properties of 2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol?
2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol has a molecular weight of 221.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol is sourced from PubChem (CID 62774526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).