3-(3-aminopropyl)phenol

C9H13NO — CID 18758283

IUPAC3-(3-aminopropyl)phenol
SMILESNCCCc1cccc(O)c1
InChIInChI=1S/C9H13NO/c10-6-2-4-8-3-1-5-9(11)7-8/h1,3,5,7,11H,2,4,6,10H2
InChIKeyQLRBBFCAMQQYSG-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.28
Rot. Bonds3

About 3-(3-aminopropyl)phenol

3-(3-aminopropyl)phenol (PubChem CID 18758283) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-(3-aminopropyl)phenol.

Molecular Properties

Compound Name3-(3-aminopropyl)phenol
PubChem CID18758283
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-(3-aminopropyl)phenol
SMILESNCCCc1cccc(O)c1
InChIInChI=1S/C9H13NO/c10-6-2-4-8-3-1-5-9(11)7-8/h1,3,5,7,11H,2,4,6,10H2
InChIKeyQLRBBFCAMQQYSG-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 3-(3-aminopropyl)phenol?
The IUPAC name of 3-(3-aminopropyl)phenol (CID 18758283) is 3-(3-aminopropyl)phenol.
What is the SMILES notation for 3-(3-aminopropyl)phenol?
The canonical SMILES for 3-(3-aminopropyl)phenol is NCCCc1cccc(O)c1.
What is the InChIKey of 3-(3-aminopropyl)phenol?
The InChIKey is QLRBBFCAMQQYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c10-6-2-4-8-3-1-5-9(11)7-8/h1,3,5,7,11H,2,4,6,10H2.
What are the key properties of 3-(3-aminopropyl)phenol?
3-(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 3-(3-aminopropyl)phenol is sourced from PubChem (CID 18758283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).