2-(4-tert-butyl-2-methylanilino)-2-methylpropan-1-ol

C15H25NO — CID 115133167

IUPAC2-(4-tert-butyl-2-methylanilino)-2-methylpropan-1-ol
SMILESCc1cc(C(C)(C)C)ccc1NC(C)(C)CO
InChIInChI=1S/C15H25NO/c1-11-9-12(14(2,3)4)7-8-13(11)16-15(5,6)10-17/h7-9,16-17H,10H2,1-6H3
InChIKeyTUNFQCRSUQLHOU-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.48
Rot. Bonds3

About 2-(4-tert-butyl-2-methylanilino)-2-methylpropan-1-ol

2-(4-tert-butyl-2-methylanilino)-2-methylpropan-1-ol (PubChem CID 115133167) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylanilino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylanilino)-2-methylpropan-1-ol
PubChem CID115133167
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(4-tert-butyl-2-methylanilino)-2-methylpropan-1-ol
SMILESCc1cc(C(C)(C)C)ccc1NC(C)(C)CO
InChIInChI=1S/C15H25NO/c1-11-9-12(14(2,3)4)7-8-13(11)16-15(5,6)10-17/h7-9,16-17H,10H2,1-6H3
InChIKeyTUNFQCRSUQLHOU-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(4-tert-butyl-2-methylphenyl)-3-methylbutane-1,3-diamine
CID 115134478
2-methyl-2-(2-methylanilino)propan-1-ol
CID 61045872
N-(bromomethyl)-4-tert-butyl-2-methylaniline
CID 115261604
2-(5-tert-butyl-2-methylanilino)ethanol
CID 82492429
2-(5-chloro-4-methoxy-2-methylanilino)-2-methylpropan-1-ol
CID 115133125
2-(2-amino-4-fluoroanilino)-2-methylpropan-1-ol
CID 43498840
2-amino-N-(4-tert-butyl-2-methylphenyl)acetamide
CID 82494146
1-N-(4-tert-butyl-2-methylphenyl)propane-1,2-diamine
CID 115196315
3-(4-tert-butyl-2-methylanilino)propane-1-thiol
CID 115224636
2-(4-amino-2-methylanilino)-2-phenylpropan-1-ol
CID 105057718
3-(4-amino-2-methylanilino)-2,2-difluoropropan-1-ol
CID 106167522
4-(5-tert-butyl-2-methylanilino)butan-1-ol
CID 115217347

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylanilino)-2-methylpropan-1-ol?
The IUPAC name of 2-(4-tert-butyl-2-methylanilino)-2-methylpropan-1-ol (CID 115133167) is 2-(4-tert-butyl-2-methylanilino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(4-tert-butyl-2-methylanilino)-2-methylpropan-1-ol?
The canonical SMILES for 2-(4-tert-butyl-2-methylanilino)-2-methylpropan-1-ol is Cc1cc(C(C)(C)C)ccc1NC(C)(C)CO.
What is the InChIKey of 2-(4-tert-butyl-2-methylanilino)-2-methylpropan-1-ol?
The InChIKey is TUNFQCRSUQLHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11-9-12(14(2,3)4)7-8-13(11)16-15(5,6)10-17/h7-9,16-17H,10H2,1-6H3.
What are the key properties of 2-(4-tert-butyl-2-methylanilino)-2-methylpropan-1-ol?
2-(4-tert-butyl-2-methylanilino)-2-methylpropan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methylanilino)-2-methylpropan-1-ol is sourced from PubChem (CID 115133167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).