3-(propylamino)phenol

C9H13NO — CID 12950423

IUPAC3-(propylamino)phenol
SMILESCCCNc1cccc(O)c1
InChIInChI=1S/C9H13NO/c1-2-6-10-8-4-3-5-9(11)7-8/h3-5,7,10-11H,2,6H2,1H3
InChIKeyMVULBFCSAWHERU-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.21
Rot. Bonds3

About 3-(propylamino)phenol

3-(propylamino)phenol (PubChem CID 12950423) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-(propylamino)phenol.

Molecular Properties

Compound Name3-(propylamino)phenol
PubChem CID12950423
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-(propylamino)phenol
SMILESCCCNc1cccc(O)c1
InChIInChI=1S/C9H13NO/c1-2-6-10-8-4-3-5-9(11)7-8/h3-5,7,10-11H,2,6H2,1H3
InChIKeyMVULBFCSAWHERU-UHFFFAOYSA-N
XLogP2.21
TPSA32.26 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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)phenol?
The IUPAC name of 3-(propylamino)phenol (CID 12950423) is 3-(propylamino)phenol.
What is the SMILES notation for 3-(propylamino)phenol?
The canonical SMILES for 3-(propylamino)phenol is CCCNc1cccc(O)c1.
What is the InChIKey of 3-(propylamino)phenol?
The InChIKey is MVULBFCSAWHERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-6-10-8-4-3-5-9(11)7-8/h3-5,7,10-11H,2,6H2,1H3.
What are the key properties of 3-(propylamino)phenol?
3-(propylamino)phenol has a molecular weight of 151.21 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)phenol is sourced from PubChem (CID 12950423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).