3-(2-aminophenyl)pentan-3-ol

C11H17NO — CID 10607441

IUPAC3-(2-aminophenyl)pentan-3-ol
SMILESCCC(O)(CC)c1ccccc1N
InChIInChI=1S/C11H17NO/c1-3-11(13,4-2)9-7-5-6-8-10(9)12/h5-8,13H,3-4,12H2,1-2H3
InChIKeyOJBCNOBBJUMWBQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.28
Rot. Bonds3

About 3-(2-aminophenyl)pentan-3-ol

3-(2-aminophenyl)pentan-3-ol (PubChem CID 10607441) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-(2-aminophenyl)pentan-3-ol.

Molecular Properties

Compound Name3-(2-aminophenyl)pentan-3-ol
PubChem CID10607441
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-(2-aminophenyl)pentan-3-ol
SMILESCCC(O)(CC)c1ccccc1N
InChIInChI=1S/C11H17NO/c1-3-11(13,4-2)9-7-5-6-8-10(9)12/h5-8,13H,3-4,12H2,1-2H3
InChIKeyOJBCNOBBJUMWBQ-UHFFFAOYSA-N
XLogP2.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Aminobenzyl alcohol
CID 21439
Tris(p-aminophenyl)methanol
CID 10084
2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 577801
1-(3-Aminophenyl)ethanol
CID 222461
1-(2-Amino-3-methylphenyl)ethan-1-ol
CID 102330434
2-(2-Amino-5-methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
CID 320085
2-Aminobenzhydrol
CID 270810
2-(Methoxymethyl)aniline
CID 12334306
1-(2-Aminophenyl)-1,2-diphenylethanol
CID 2803358
2-(4-Aminophenyl)propan-2-ol
CID 9543261
4-Amino-alpha-methylbenzenemethanol
CID 85753
2-Amino-alpha-methylbenzenemethanol
CID 112058

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)pentan-3-ol?
The IUPAC name of 3-(2-aminophenyl)pentan-3-ol (CID 10607441) is 3-(2-aminophenyl)pentan-3-ol.
What is the SMILES notation for 3-(2-aminophenyl)pentan-3-ol?
The canonical SMILES for 3-(2-aminophenyl)pentan-3-ol is CCC(O)(CC)c1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)pentan-3-ol?
The InChIKey is OJBCNOBBJUMWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-11(13,4-2)9-7-5-6-8-10(9)12/h5-8,13H,3-4,12H2,1-2H3.
What are the key properties of 3-(2-aminophenyl)pentan-3-ol?
3-(2-aminophenyl)pentan-3-ol has a molecular weight of 179.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)pentan-3-ol is sourced from PubChem (CID 10607441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).