3-[2-(propylamino)ethyl]phenol

C11H17NO — CID 10607440

IUPAC3-[2-(propylamino)ethyl]phenol
SMILESCCCNCCc1cccc(O)c1
InChIInChI=1S/C11H17NO/c1-2-7-12-8-6-10-4-3-5-11(13)9-10/h3-5,9,12-13H,2,6-8H2,1H3
InChIKeyXKSIUVYTWSHHMP-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.93
Rot. Bonds5

About 3-[2-(propylamino)ethyl]phenol

3-[2-(propylamino)ethyl]phenol (PubChem CID 10607440) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-[2-(propylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[2-(propylamino)ethyl]phenol
PubChem CID10607440
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-[2-(propylamino)ethyl]phenol
SMILESCCCNCCc1cccc(O)c1
InChIInChI=1S/C11H17NO/c1-2-7-12-8-6-10-4-3-5-11(13)9-10/h3-5,9,12-13H,2,6-8H2,1H3
InChIKeyXKSIUVYTWSHHMP-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(propylamino)ethyl]phenol?
The IUPAC name of 3-[2-(propylamino)ethyl]phenol (CID 10607440) is 3-[2-(propylamino)ethyl]phenol.
What is the SMILES notation for 3-[2-(propylamino)ethyl]phenol?
The canonical SMILES for 3-[2-(propylamino)ethyl]phenol is CCCNCCc1cccc(O)c1.
What is the InChIKey of 3-[2-(propylamino)ethyl]phenol?
The InChIKey is XKSIUVYTWSHHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-7-12-8-6-10-4-3-5-11(13)9-10/h3-5,9,12-13H,2,6-8H2,1H3.
What are the key properties of 3-[2-(propylamino)ethyl]phenol?
3-[2-(propylamino)ethyl]phenol has a molecular weight of 179.26 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(propylamino)ethyl]phenol is sourced from PubChem (CID 10607440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).