2-methyl-5-[methyl(propan-2-yl)amino]phenol

C11H17NO — CID 142192144

IUPAC2-methyl-5-[methyl(propan-2-yl)amino]phenol
SMILESCc1ccc(N(C)C(C)C)cc1O
InChIInChI=1S/C11H17NO/c1-8(2)12(4)10-6-5-9(3)11(13)7-10/h5-8,13H,1-4H3
InChIKeyDMDMJHXXNVEEOZ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.55
Rot. Bonds2

About 2-methyl-5-[methyl(propan-2-yl)amino]phenol

2-methyl-5-[methyl(propan-2-yl)amino]phenol (PubChem CID 142192144) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-methyl-5-[methyl(propan-2-yl)amino]phenol.

Molecular Properties

Compound Name2-methyl-5-[methyl(propan-2-yl)amino]phenol
PubChem CID142192144
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-methyl-5-[methyl(propan-2-yl)amino]phenol
SMILESCc1ccc(N(C)C(C)C)cc1O
InChIInChI=1S/C11H17NO/c1-8(2)12(4)10-6-5-9(3)11(13)7-10/h5-8,13H,1-4H3
InChIKeyDMDMJHXXNVEEOZ-UHFFFAOYSA-N
XLogP2.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[methyl(propan-2-yl)amino]phenol?
The IUPAC name of 2-methyl-5-[methyl(propan-2-yl)amino]phenol (CID 142192144) is 2-methyl-5-[methyl(propan-2-yl)amino]phenol.
What is the SMILES notation for 2-methyl-5-[methyl(propan-2-yl)amino]phenol?
The canonical SMILES for 2-methyl-5-[methyl(propan-2-yl)amino]phenol is Cc1ccc(N(C)C(C)C)cc1O.
What is the InChIKey of 2-methyl-5-[methyl(propan-2-yl)amino]phenol?
The InChIKey is DMDMJHXXNVEEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(2)12(4)10-6-5-9(3)11(13)7-10/h5-8,13H,1-4H3.
What are the key properties of 2-methyl-5-[methyl(propan-2-yl)amino]phenol?
2-methyl-5-[methyl(propan-2-yl)amino]phenol has a molecular weight of 179.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[methyl(propan-2-yl)amino]phenol is sourced from PubChem (CID 142192144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).