2-(3-aminopentan-3-yl)phenol

C11H17NO — CID 67174272

IUPAC2-(3-aminopentan-3-yl)phenol
SMILESCCC(N)(CC)c1ccccc1O
InChIInChI=1S/C11H17NO/c1-3-11(12,4-2)9-7-5-6-8-10(9)13/h5-8,13H,3-4,12H2,1-2H3
InChIKeyCNBKQPNWSOHZPL-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.37
Rot. Bonds3

About 2-(3-aminopentan-3-yl)phenol

2-(3-aminopentan-3-yl)phenol (PubChem CID 67174272) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(3-aminopentan-3-yl)phenol.

Molecular Properties

Compound Name2-(3-aminopentan-3-yl)phenol
PubChem CID67174272
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(3-aminopentan-3-yl)phenol
SMILESCCC(N)(CC)c1ccccc1O
InChIInChI=1S/C11H17NO/c1-3-11(12,4-2)9-7-5-6-8-10(9)13/h5-8,13H,3-4,12H2,1-2H3
InChIKeyCNBKQPNWSOHZPL-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopentan-3-yl)phenol?
The IUPAC name of 2-(3-aminopentan-3-yl)phenol (CID 67174272) is 2-(3-aminopentan-3-yl)phenol.
What is the SMILES notation for 2-(3-aminopentan-3-yl)phenol?
The canonical SMILES for 2-(3-aminopentan-3-yl)phenol is CCC(N)(CC)c1ccccc1O.
What is the InChIKey of 2-(3-aminopentan-3-yl)phenol?
The InChIKey is CNBKQPNWSOHZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-11(12,4-2)9-7-5-6-8-10(9)13/h5-8,13H,3-4,12H2,1-2H3.
What are the key properties of 2-(3-aminopentan-3-yl)phenol?
2-(3-aminopentan-3-yl)phenol has a molecular weight of 179.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopentan-3-yl)phenol is sourced from PubChem (CID 67174272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).