4-amino-3,3-dimethyl-2-(2-methylphenyl)butan-2-ol

C13H21NO — CID 79127709

IUPAC4-amino-3,3-dimethyl-2-(2-methylphenyl)butan-2-ol
SMILESCc1ccccc1C(C)(O)C(C)(C)CN
InChIInChI=1S/C13H21NO/c1-10-7-5-6-8-11(10)13(4,15)12(2,3)9-14/h5-8,15H,9,14H2,1-4H3
InChIKeyHFMIWSOZCOOVKU-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.19
Rot. Bonds3

About 4-amino-3,3-dimethyl-2-(2-methylphenyl)butan-2-ol

4-amino-3,3-dimethyl-2-(2-methylphenyl)butan-2-ol (PubChem CID 79127709) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-amino-3,3-dimethyl-2-(2-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-amino-3,3-dimethyl-2-(2-methylphenyl)butan-2-ol
PubChem CID79127709
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-amino-3,3-dimethyl-2-(2-methylphenyl)butan-2-ol
SMILESCc1ccccc1C(C)(O)C(C)(C)CN
InChIInChI=1S/C13H21NO/c1-10-7-5-6-8-11(10)13(4,15)12(2,3)9-14/h5-8,15H,9,14H2,1-4H3
InChIKeyHFMIWSOZCOOVKU-UHFFFAOYSA-N
XLogP2.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethyl-2-(2-methylphenyl)butan-2-ol?
The IUPAC name of 4-amino-3,3-dimethyl-2-(2-methylphenyl)butan-2-ol (CID 79127709) is 4-amino-3,3-dimethyl-2-(2-methylphenyl)butan-2-ol.
What is the SMILES notation for 4-amino-3,3-dimethyl-2-(2-methylphenyl)butan-2-ol?
The canonical SMILES for 4-amino-3,3-dimethyl-2-(2-methylphenyl)butan-2-ol is Cc1ccccc1C(C)(O)C(C)(C)CN.
What is the InChIKey of 4-amino-3,3-dimethyl-2-(2-methylphenyl)butan-2-ol?
The InChIKey is HFMIWSOZCOOVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-7-5-6-8-11(10)13(4,15)12(2,3)9-14/h5-8,15H,9,14H2,1-4H3.
What are the key properties of 4-amino-3,3-dimethyl-2-(2-methylphenyl)butan-2-ol?
4-amino-3,3-dimethyl-2-(2-methylphenyl)butan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dimethyl-2-(2-methylphenyl)butan-2-ol is sourced from PubChem (CID 79127709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).