2-methyl-4-(4-methyl-N-propan-2-ylanilino)butan-2-ol

C15H25NO — CID 86768684

IUPAC2-methyl-4-(4-methyl-N-propan-2-ylanilino)butan-2-ol
SMILESCc1ccc(N(CCC(C)(C)O)C(C)C)cc1
InChIInChI=1S/C15H25NO/c1-12(2)16(11-10-15(4,5)17)14-8-6-13(3)7-9-14/h6-9,12,17H,10-11H2,1-5H3
InChIKeyYSFDVWICGDVNPG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.37
Rot. Bonds5

About 2-methyl-4-(4-methyl-N-propan-2-ylanilino)butan-2-ol

2-methyl-4-(4-methyl-N-propan-2-ylanilino)butan-2-ol (PubChem CID 86768684) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methyl-4-(4-methyl-N-propan-2-ylanilino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(4-methyl-N-propan-2-ylanilino)butan-2-ol
PubChem CID86768684
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-methyl-4-(4-methyl-N-propan-2-ylanilino)butan-2-ol
SMILESCc1ccc(N(CCC(C)(C)O)C(C)C)cc1
InChIInChI=1S/C15H25NO/c1-12(2)16(11-10-15(4,5)17)14-8-6-13(3)7-9-14/h6-9,12,17H,10-11H2,1-5H3
InChIKeyYSFDVWICGDVNPG-UHFFFAOYSA-N
XLogP3.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methyl-N-propan-2-ylanilino)butan-2-ol?
The IUPAC name of 2-methyl-4-(4-methyl-N-propan-2-ylanilino)butan-2-ol (CID 86768684) is 2-methyl-4-(4-methyl-N-propan-2-ylanilino)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(4-methyl-N-propan-2-ylanilino)butan-2-ol?
The canonical SMILES for 2-methyl-4-(4-methyl-N-propan-2-ylanilino)butan-2-ol is Cc1ccc(N(CCC(C)(C)O)C(C)C)cc1.
What is the InChIKey of 2-methyl-4-(4-methyl-N-propan-2-ylanilino)butan-2-ol?
The InChIKey is YSFDVWICGDVNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)16(11-10-15(4,5)17)14-8-6-13(3)7-9-14/h6-9,12,17H,10-11H2,1-5H3.
What are the key properties of 2-methyl-4-(4-methyl-N-propan-2-ylanilino)butan-2-ol?
2-methyl-4-(4-methyl-N-propan-2-ylanilino)butan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methyl-N-propan-2-ylanilino)butan-2-ol is sourced from PubChem (CID 86768684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).