4-[methyl(2-methylpropyl)amino]phenol

C11H17NO — CID 57245584

IUPAC4-[methyl(2-methylpropyl)amino]phenol
SMILESCC(C)CN(C)c1ccc(O)cc1
InChIInChI=1S/C11H17NO/c1-9(2)8-12(3)10-4-6-11(13)7-5-10/h4-7,9,13H,8H2,1-3H3
InChIKeyFSLUTBCUFWSRLW-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.48
Rot. Bonds3

About 4-[methyl(2-methylpropyl)amino]phenol

4-[methyl(2-methylpropyl)amino]phenol (PubChem CID 57245584) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-[methyl(2-methylpropyl)amino]phenol.

Molecular Properties

Compound Name4-[methyl(2-methylpropyl)amino]phenol
PubChem CID57245584
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-[methyl(2-methylpropyl)amino]phenol
SMILESCC(C)CN(C)c1ccc(O)cc1
InChIInChI=1S/C11H17NO/c1-9(2)8-12(3)10-4-6-11(13)7-5-10/h4-7,9,13H,8H2,1-3H3
InChIKeyFSLUTBCUFWSRLW-UHFFFAOYSA-N
XLogP2.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-methylpropyl)amino]phenol?
The IUPAC name of 4-[methyl(2-methylpropyl)amino]phenol (CID 57245584) is 4-[methyl(2-methylpropyl)amino]phenol.
What is the SMILES notation for 4-[methyl(2-methylpropyl)amino]phenol?
The canonical SMILES for 4-[methyl(2-methylpropyl)amino]phenol is CC(C)CN(C)c1ccc(O)cc1.
What is the InChIKey of 4-[methyl(2-methylpropyl)amino]phenol?
The InChIKey is FSLUTBCUFWSRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(2)8-12(3)10-4-6-11(13)7-5-10/h4-7,9,13H,8H2,1-3H3.
What are the key properties of 4-[methyl(2-methylpropyl)amino]phenol?
4-[methyl(2-methylpropyl)amino]phenol has a molecular weight of 179.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-methylpropyl)amino]phenol is sourced from PubChem (CID 57245584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).