2-(5-tert-butyl-2-methylanilino)ethanol

C13H21NO — CID 82492429

IUPAC2-(5-tert-butyl-2-methylanilino)ethanol
SMILESCc1ccc(C(C)(C)C)cc1NCCO
InChIInChI=1S/C13H21NO/c1-10-5-6-11(13(2,3)4)9-12(10)14-7-8-15/h5-6,9,14-15H,7-8H2,1-4H3
InChIKeySTZJKDVPQVNKBJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.70
Rot. Bonds3

About 2-(5-tert-butyl-2-methylanilino)ethanol

2-(5-tert-butyl-2-methylanilino)ethanol (PubChem CID 82492429) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methylanilino)ethanol.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methylanilino)ethanol
PubChem CID82492429
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(5-tert-butyl-2-methylanilino)ethanol
SMILESCc1ccc(C(C)(C)C)cc1NCCO
InChIInChI=1S/C13H21NO/c1-10-5-6-11(13(2,3)4)9-12(10)14-7-8-15/h5-6,9,14-15H,7-8H2,1-4H3
InChIKeySTZJKDVPQVNKBJ-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(5-tert-butyl-2-methylanilino)ethanol with MolForge

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

Launch Full Analysis

Related Compounds

4-(5-tert-butyl-2-methylanilino)butan-1-ol
CID 115217347
5-(5-tert-butyl-2-methylanilino)pentanoic acid
CID 115218859
4-(5-tert-butyl-2-methylanilino)-3-methylbutanoic acid
CID 115219692
4-(5-tert-butyl-2-methylanilino)-3-hydroxybutanoic acid
CID 115122843
N,3-bis(5-tert-butyl-2-methylphenyl)-2-oxopropanamide
CID 159844631
2-(4-tert-butyl-2-methylanilino)-2-methylpropan-1-ol
CID 115133167
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209791
2-[(5-tert-butyl-2-methylphenyl)carbamoylamino]acetic acid
CID 82501431
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273
N-(5-tert-butyl-2-methylphenyl)prop-2-enamide
CID 139406926
1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 66479358

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methylanilino)ethanol?
The IUPAC name of 2-(5-tert-butyl-2-methylanilino)ethanol (CID 82492429) is 2-(5-tert-butyl-2-methylanilino)ethanol.
What is the SMILES notation for 2-(5-tert-butyl-2-methylanilino)ethanol?
The canonical SMILES for 2-(5-tert-butyl-2-methylanilino)ethanol is Cc1ccc(C(C)(C)C)cc1NCCO.
What is the InChIKey of 2-(5-tert-butyl-2-methylanilino)ethanol?
The InChIKey is STZJKDVPQVNKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-5-6-11(13(2,3)4)9-12(10)14-7-8-15/h5-6,9,14-15H,7-8H2,1-4H3.
What are the key properties of 2-(5-tert-butyl-2-methylanilino)ethanol?
2-(5-tert-butyl-2-methylanilino)ethanol has a molecular weight of 207.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methylanilino)ethanol is sourced from PubChem (CID 82492429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).