4-(tert-butylamino)-2-(2,4-dimethylphenyl)butan-2-ol

C16H27NO — CID 66001267

IUPAC4-(tert-butylamino)-2-(2,4-dimethylphenyl)butan-2-ol
SMILESCc1ccc(C(C)(O)CCNC(C)(C)C)c(C)c1
InChIInChI=1S/C16H27NO/c1-12-7-8-14(13(2)11-12)16(6,18)9-10-17-15(3,4)5/h7-8,11,17-18H,9-10H2,1-6H3
InChIKeyXUDDWQHKHZEUHH-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.29
Rot. Bonds4

About 4-(tert-butylamino)-2-(2,4-dimethylphenyl)butan-2-ol

4-(tert-butylamino)-2-(2,4-dimethylphenyl)butan-2-ol (PubChem CID 66001267) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-(tert-butylamino)-2-(2,4-dimethylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-(tert-butylamino)-2-(2,4-dimethylphenyl)butan-2-ol
PubChem CID66001267
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-(tert-butylamino)-2-(2,4-dimethylphenyl)butan-2-ol
SMILESCc1ccc(C(C)(O)CCNC(C)(C)C)c(C)c1
InChIInChI=1S/C16H27NO/c1-12-7-8-14(13(2)11-12)16(6,18)9-10-17-15(3,4)5/h7-8,11,17-18H,9-10H2,1-6H3
InChIKeyXUDDWQHKHZEUHH-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(tert-butylamino)-2-(2,4-dimethylphenyl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2-(2,4-dimethylphenyl)butan-2-ol?
The IUPAC name of 4-(tert-butylamino)-2-(2,4-dimethylphenyl)butan-2-ol (CID 66001267) is 4-(tert-butylamino)-2-(2,4-dimethylphenyl)butan-2-ol.
What is the SMILES notation for 4-(tert-butylamino)-2-(2,4-dimethylphenyl)butan-2-ol?
The canonical SMILES for 4-(tert-butylamino)-2-(2,4-dimethylphenyl)butan-2-ol is Cc1ccc(C(C)(O)CCNC(C)(C)C)c(C)c1.
What is the InChIKey of 4-(tert-butylamino)-2-(2,4-dimethylphenyl)butan-2-ol?
The InChIKey is XUDDWQHKHZEUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12-7-8-14(13(2)11-12)16(6,18)9-10-17-15(3,4)5/h7-8,11,17-18H,9-10H2,1-6H3.
What are the key properties of 4-(tert-butylamino)-2-(2,4-dimethylphenyl)butan-2-ol?
4-(tert-butylamino)-2-(2,4-dimethylphenyl)butan-2-ol has a molecular weight of 249.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2-(2,4-dimethylphenyl)butan-2-ol is sourced from PubChem (CID 66001267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).