2-[4-(aminomethyl)phenyl]propan-2-ol

C10H15NO — CID 10154211

IUPAC2-[4-(aminomethyl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(CN)cc1
InChIInChI=1S/C10H15NO/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3-6,12H,7,11H2,1-2H3
InChIKeyJXABOQLRHAMRAQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.37
Rot. Bonds2

About 2-[4-(aminomethyl)phenyl]propan-2-ol

2-[4-(aminomethyl)phenyl]propan-2-ol (PubChem CID 10154211) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]propan-2-ol
PubChem CID10154211
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-[4-(aminomethyl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(CN)cc1
InChIInChI=1S/C10H15NO/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3-6,12H,7,11H2,1-2H3
InChIKeyJXABOQLRHAMRAQ-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]propan-2-ol?
The IUPAC name of 2-[4-(aminomethyl)phenyl]propan-2-ol (CID 10154211) is 2-[4-(aminomethyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]propan-2-ol?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]propan-2-ol is CC(C)(O)c1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]propan-2-ol?
The InChIKey is JXABOQLRHAMRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3-6,12H,7,11H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)phenyl]propan-2-ol?
2-[4-(aminomethyl)phenyl]propan-2-ol has a molecular weight of 165.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]propan-2-ol is sourced from PubChem (CID 10154211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).