4-[2-(3-aminopropyl)phenyl]phenol

C15H17NO — CID 83384327

IUPAC4-[2-(3-aminopropyl)phenyl]phenol
SMILESNCCCc1ccccc1-c1ccc(O)cc1
InChIInChI=1S/C15H17NO/c16-11-3-5-12-4-1-2-6-15(12)13-7-9-14(17)10-8-13/h1-2,4,6-10,17H,3,5,11,16H2
InChIKeyPNUIEIUEHCWTJA-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.95
Rot. Bonds4

About 4-[2-(3-aminopropyl)phenyl]phenol

4-[2-(3-aminopropyl)phenyl]phenol (PubChem CID 83384327) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[2-(3-aminopropyl)phenyl]phenol.

Molecular Properties

Compound Name4-[2-(3-aminopropyl)phenyl]phenol
PubChem CID83384327
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-[2-(3-aminopropyl)phenyl]phenol
SMILESNCCCc1ccccc1-c1ccc(O)cc1
InChIInChI=1S/C15H17NO/c16-11-3-5-12-4-1-2-6-15(12)13-7-9-14(17)10-8-13/h1-2,4,6-10,17H,3,5,11,16H2
InChIKeyPNUIEIUEHCWTJA-UHFFFAOYSA-N
XLogP2.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-aminopropyl)phenyl]phenol?
The IUPAC name of 4-[2-(3-aminopropyl)phenyl]phenol (CID 83384327) is 4-[2-(3-aminopropyl)phenyl]phenol.
What is the SMILES notation for 4-[2-(3-aminopropyl)phenyl]phenol?
The canonical SMILES for 4-[2-(3-aminopropyl)phenyl]phenol is NCCCc1ccccc1-c1ccc(O)cc1.
What is the InChIKey of 4-[2-(3-aminopropyl)phenyl]phenol?
The InChIKey is PNUIEIUEHCWTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c16-11-3-5-12-4-1-2-6-15(12)13-7-9-14(17)10-8-13/h1-2,4,6-10,17H,3,5,11,16H2.
What are the key properties of 4-[2-(3-aminopropyl)phenyl]phenol?
4-[2-(3-aminopropyl)phenyl]phenol has a molecular weight of 227.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-aminopropyl)phenyl]phenol is sourced from PubChem (CID 83384327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).