5-(1-cyclobutylpropan-2-ylamino)-2-methylphenol

C14H21NO — CID 107700272

IUPAC5-(1-cyclobutylpropan-2-ylamino)-2-methylphenol
SMILESCc1ccc(NC(C)CC2CCC2)cc1O
InChIInChI=1S/C14H21NO/c1-10-6-7-13(9-14(10)16)15-11(2)8-12-4-3-5-12/h6-7,9,11-12,15-16H,3-5,8H2,1-2H3
InChIKeyXYJCHTGGJRQJJA-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.69
Rot. Bonds4

About 5-(1-cyclobutylpropan-2-ylamino)-2-methylphenol

5-(1-cyclobutylpropan-2-ylamino)-2-methylphenol (PubChem CID 107700272) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-(1-cyclobutylpropan-2-ylamino)-2-methylphenol.

Molecular Properties

Compound Name5-(1-cyclobutylpropan-2-ylamino)-2-methylphenol
PubChem CID107700272
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name5-(1-cyclobutylpropan-2-ylamino)-2-methylphenol
SMILESCc1ccc(NC(C)CC2CCC2)cc1O
InChIInChI=1S/C14H21NO/c1-10-6-7-13(9-14(10)16)15-11(2)8-12-4-3-5-12/h6-7,9,11-12,15-16H,3-5,8H2,1-2H3
InChIKeyXYJCHTGGJRQJJA-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclobutylpropan-2-ylamino)-2-methylphenol?
The IUPAC name of 5-(1-cyclobutylpropan-2-ylamino)-2-methylphenol (CID 107700272) is 5-(1-cyclobutylpropan-2-ylamino)-2-methylphenol.
What is the SMILES notation for 5-(1-cyclobutylpropan-2-ylamino)-2-methylphenol?
The canonical SMILES for 5-(1-cyclobutylpropan-2-ylamino)-2-methylphenol is Cc1ccc(NC(C)CC2CCC2)cc1O.
What is the InChIKey of 5-(1-cyclobutylpropan-2-ylamino)-2-methylphenol?
The InChIKey is XYJCHTGGJRQJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-6-7-13(9-14(10)16)15-11(2)8-12-4-3-5-12/h6-7,9,11-12,15-16H,3-5,8H2,1-2H3.
What are the key properties of 5-(1-cyclobutylpropan-2-ylamino)-2-methylphenol?
5-(1-cyclobutylpropan-2-ylamino)-2-methylphenol has a molecular weight of 219.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclobutylpropan-2-ylamino)-2-methylphenol is sourced from PubChem (CID 107700272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).