4-(2-aminopropyl)-2-methylphenol

C10H15NO — CID 24836933

IUPAC4-(2-aminopropyl)-2-methylphenol
SMILESCc1cc(CC(C)N)ccc1O
InChIInChI=1S/C10H15NO/c1-7-5-9(6-8(2)11)3-4-10(7)12/h3-5,8,12H,6,11H2,1-2H3
InChIKeyROBXSLZXUPEWLV-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.59
Rot. Bonds2

About 4-(2-aminopropyl)-2-methylphenol

4-(2-aminopropyl)-2-methylphenol (PubChem CID 24836933) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(2-aminopropyl)-2-methylphenol.

Molecular Properties

Compound Name4-(2-aminopropyl)-2-methylphenol
PubChem CID24836933
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-(2-aminopropyl)-2-methylphenol
SMILESCc1cc(CC(C)N)ccc1O
InChIInChI=1S/C10H15NO/c1-7-5-9(6-8(2)11)3-4-10(7)12/h3-5,8,12H,6,11H2,1-2H3
InChIKeyROBXSLZXUPEWLV-UHFFFAOYSA-N
XLogP1.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-2-methylphenol?
The IUPAC name of 4-(2-aminopropyl)-2-methylphenol (CID 24836933) is 4-(2-aminopropyl)-2-methylphenol.
What is the SMILES notation for 4-(2-aminopropyl)-2-methylphenol?
The canonical SMILES for 4-(2-aminopropyl)-2-methylphenol is Cc1cc(CC(C)N)ccc1O.
What is the InChIKey of 4-(2-aminopropyl)-2-methylphenol?
The InChIKey is ROBXSLZXUPEWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-5-9(6-8(2)11)3-4-10(7)12/h3-5,8,12H,6,11H2,1-2H3.
What are the key properties of 4-(2-aminopropyl)-2-methylphenol?
4-(2-aminopropyl)-2-methylphenol has a molecular weight of 165.24 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-2-methylphenol is sourced from PubChem (CID 24836933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).