(3-amino-4-propan-2-ylphenyl)methanol

C10H15NO — CID 15721891

IUPAC(3-amino-4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(CO)cc1N
InChIInChI=1S/C10H15NO/c1-7(2)9-4-3-8(6-12)5-10(9)11/h3-5,7,12H,6,11H2,1-2H3
InChIKeyJNCRNRKEOXWCNM-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.88
Rot. Bonds2

About (3-amino-4-propan-2-ylphenyl)methanol

(3-amino-4-propan-2-ylphenyl)methanol (PubChem CID 15721891) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (3-amino-4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(3-amino-4-propan-2-ylphenyl)methanol
PubChem CID15721891
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(3-amino-4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(CO)cc1N
InChIInChI=1S/C10H15NO/c1-7(2)9-4-3-8(6-12)5-10(9)11/h3-5,7,12H,6,11H2,1-2H3
InChIKeyJNCRNRKEOXWCNM-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-propan-2-ylphenyl)methanol?
The IUPAC name of (3-amino-4-propan-2-ylphenyl)methanol (CID 15721891) is (3-amino-4-propan-2-ylphenyl)methanol.
What is the SMILES notation for (3-amino-4-propan-2-ylphenyl)methanol?
The canonical SMILES for (3-amino-4-propan-2-ylphenyl)methanol is CC(C)c1ccc(CO)cc1N.
What is the InChIKey of (3-amino-4-propan-2-ylphenyl)methanol?
The InChIKey is JNCRNRKEOXWCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(2)9-4-3-8(6-12)5-10(9)11/h3-5,7,12H,6,11H2,1-2H3.
What are the key properties of (3-amino-4-propan-2-ylphenyl)methanol?
(3-amino-4-propan-2-ylphenyl)methanol has a molecular weight of 165.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 15721891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).