2-(3-aminopropyl)phenol

C9H13NO — CID 4091386

IUPAC2-(3-aminopropyl)phenol
SMILESNCCCc1ccccc1O
InChIInChI=1S/C9H13NO/c10-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6,11H,3,5,7,10H2
InChIKeyQWGDENNPWXKGPQ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.28
Rot. Bonds3

About 2-(3-aminopropyl)phenol

2-(3-aminopropyl)phenol (PubChem CID 4091386) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-(3-aminopropyl)phenol.

Molecular Properties

Compound Name2-(3-aminopropyl)phenol
PubChem CID4091386
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-(3-aminopropyl)phenol
SMILESNCCCc1ccccc1O
InChIInChI=1S/C9H13NO/c10-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6,11H,3,5,7,10H2
InChIKeyQWGDENNPWXKGPQ-UHFFFAOYSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)phenol?
The IUPAC name of 2-(3-aminopropyl)phenol (CID 4091386) is 2-(3-aminopropyl)phenol.
What is the SMILES notation for 2-(3-aminopropyl)phenol?
The canonical SMILES for 2-(3-aminopropyl)phenol is NCCCc1ccccc1O.
What is the InChIKey of 2-(3-aminopropyl)phenol?
The InChIKey is QWGDENNPWXKGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c10-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6,11H,3,5,7,10H2.
What are the key properties of 2-(3-aminopropyl)phenol?
2-(3-aminopropyl)phenol has a molecular weight of 151.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)phenol is sourced from PubChem (CID 4091386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).