4-(5-tert-butyl-2-methylanilino)butan-1-ol

C15H25NO — CID 115217347

IUPAC4-(5-tert-butyl-2-methylanilino)butan-1-ol
SMILESCc1ccc(C(C)(C)C)cc1NCCCCO
InChIInChI=1S/C15H25NO/c1-12-7-8-13(15(2,3)4)11-14(12)16-9-5-6-10-17/h7-8,11,16-17H,5-6,9-10H2,1-4H3
InChIKeyIUYZZFLWHOGGFU-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.48
Rot. Bonds5

About 4-(5-tert-butyl-2-methylanilino)butan-1-ol

4-(5-tert-butyl-2-methylanilino)butan-1-ol (PubChem CID 115217347) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-methylanilino)butan-1-ol.

Molecular Properties

Compound Name4-(5-tert-butyl-2-methylanilino)butan-1-ol
PubChem CID115217347
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-(5-tert-butyl-2-methylanilino)butan-1-ol
SMILESCc1ccc(C(C)(C)C)cc1NCCCCO
InChIInChI=1S/C15H25NO/c1-12-7-8-13(15(2,3)4)11-14(12)16-9-5-6-10-17/h7-8,11,16-17H,5-6,9-10H2,1-4H3
InChIKeyIUYZZFLWHOGGFU-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-methylanilino)butan-1-ol?
The IUPAC name of 4-(5-tert-butyl-2-methylanilino)butan-1-ol (CID 115217347) is 4-(5-tert-butyl-2-methylanilino)butan-1-ol.
What is the SMILES notation for 4-(5-tert-butyl-2-methylanilino)butan-1-ol?
The canonical SMILES for 4-(5-tert-butyl-2-methylanilino)butan-1-ol is Cc1ccc(C(C)(C)C)cc1NCCCCO.
What is the InChIKey of 4-(5-tert-butyl-2-methylanilino)butan-1-ol?
The InChIKey is IUYZZFLWHOGGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12-7-8-13(15(2,3)4)11-14(12)16-9-5-6-10-17/h7-8,11,16-17H,5-6,9-10H2,1-4H3.
What are the key properties of 4-(5-tert-butyl-2-methylanilino)butan-1-ol?
4-(5-tert-butyl-2-methylanilino)butan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-methylanilino)butan-1-ol is sourced from PubChem (CID 115217347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).