1-(tert-butylamino)-2-(2,5-dimethylphenyl)propan-2-ol

C15H25NO — CID 62773602

IUPAC1-(tert-butylamino)-2-(2,5-dimethylphenyl)propan-2-ol
SMILESCc1ccc(C)c(C(C)(O)CNC(C)(C)C)c1
InChIInChI=1S/C15H25NO/c1-11-7-8-12(2)13(9-11)15(6,17)10-16-14(3,4)5/h7-9,16-17H,10H2,1-6H3
InChIKeySYKPTOAKUZDGKS-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.90
Rot. Bonds3

About 1-(tert-butylamino)-2-(2,5-dimethylphenyl)propan-2-ol

1-(tert-butylamino)-2-(2,5-dimethylphenyl)propan-2-ol (PubChem CID 62773602) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-(2,5-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-(2,5-dimethylphenyl)propan-2-ol
PubChem CID62773602
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(tert-butylamino)-2-(2,5-dimethylphenyl)propan-2-ol
SMILESCc1ccc(C)c(C(C)(O)CNC(C)(C)C)c1
InChIInChI=1S/C15H25NO/c1-11-7-8-12(2)13(9-11)15(6,17)10-16-14(3,4)5/h7-9,16-17H,10H2,1-6H3
InChIKeySYKPTOAKUZDGKS-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,5-dimethylphenyl)butan-2-ol
CID 94334052
4-(tert-butylamino)-2-(2,4-dimethylphenyl)butan-2-ol
CID 66001267
1-(tert-butylamino)-2-(4-fluoro-2-methylphenyl)propan-2-ol
CID 66036805
2-(2,5-dimethylphenyl)-1-(1,3-thiazol-2-yl)propan-2-ol
CID 79823757
1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol
CID 62773407
2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol
CID 82780730
1-(tert-butylamino)-2-naphthalen-1-ylpropan-2-ol
CID 62774382
2-(2,5-dimethylphenyl)-1-(methylamino)butan-2-ol
CID 82040151
2-(2,5-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62159640
2-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115133058
2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol
CID 62774526
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191394

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2-(2,5-dimethylphenyl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-2-(2,5-dimethylphenyl)propan-2-ol (CID 62773602) is 1-(tert-butylamino)-2-(2,5-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-2-(2,5-dimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-2-(2,5-dimethylphenyl)propan-2-ol is Cc1ccc(C)c(C(C)(O)CNC(C)(C)C)c1.
What is the InChIKey of 1-(tert-butylamino)-2-(2,5-dimethylphenyl)propan-2-ol?
The InChIKey is SYKPTOAKUZDGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11-7-8-12(2)13(9-11)15(6,17)10-16-14(3,4)5/h7-9,16-17H,10H2,1-6H3.
What are the key properties of 1-(tert-butylamino)-2-(2,5-dimethylphenyl)propan-2-ol?
1-(tert-butylamino)-2-(2,5-dimethylphenyl)propan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2-(2,5-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 62773602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).