1-(2-aminophenyl)-3-methylpentan-1-ol

C12H19NO — CID 64832579

IUPAC1-(2-aminophenyl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1ccccc1N
InChIInChI=1S/C12H19NO/c1-3-9(2)8-12(14)10-6-4-5-7-11(10)13/h4-7,9,12,14H,3,8,13H2,1-2H3
InChIKeyRESANYVAMATVKM-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.74
Rot. Bonds4

About 1-(2-aminophenyl)-3-methylpentan-1-ol

1-(2-aminophenyl)-3-methylpentan-1-ol (PubChem CID 64832579) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(2-aminophenyl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name1-(2-aminophenyl)-3-methylpentan-1-ol
PubChem CID64832579
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(2-aminophenyl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1ccccc1N
InChIInChI=1S/C12H19NO/c1-3-9(2)8-12(14)10-6-4-5-7-11(10)13/h4-7,9,12,14H,3,8,13H2,1-2H3
InChIKeyRESANYVAMATVKM-UHFFFAOYSA-N
XLogP2.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.74
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 1-(2-aminophenyl)-3-methylpentan-1-ol?
The IUPAC name of 1-(2-aminophenyl)-3-methylpentan-1-ol (CID 64832579) is 1-(2-aminophenyl)-3-methylpentan-1-ol.
What is the SMILES notation for 1-(2-aminophenyl)-3-methylpentan-1-ol?
The canonical SMILES for 1-(2-aminophenyl)-3-methylpentan-1-ol is CCC(C)CC(O)c1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-3-methylpentan-1-ol?
The InChIKey is RESANYVAMATVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-9(2)8-12(14)10-6-4-5-7-11(10)13/h4-7,9,12,14H,3,8,13H2,1-2H3.
What are the key properties of 1-(2-aminophenyl)-3-methylpentan-1-ol?
1-(2-aminophenyl)-3-methylpentan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-3-methylpentan-1-ol is sourced from PubChem (CID 64832579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).