4-[2-(3-fluoropropylamino)propyl]phenol

C12H18FNO — CID 110174731

IUPAC4-[2-(3-fluoropropylamino)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCCCF
InChIInChI=1S/C12H18FNO/c1-10(14-8-2-7-13)9-11-3-5-12(15)6-4-11/h3-6,10,14-15H,2,7-9H2,1H3
InChIKeyVOKINBBBFURNFT-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.27
Rot. Bonds6

About 4-[2-(3-fluoropropylamino)propyl]phenol

4-[2-(3-fluoropropylamino)propyl]phenol (PubChem CID 110174731) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-[2-(3-fluoropropylamino)propyl]phenol.

Molecular Properties

Compound Name4-[2-(3-fluoropropylamino)propyl]phenol
PubChem CID110174731
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name4-[2-(3-fluoropropylamino)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCCCF
InChIInChI=1S/C12H18FNO/c1-10(14-8-2-7-13)9-11-3-5-12(15)6-4-11/h3-6,10,14-15H,2,7-9H2,1H3
InChIKeyVOKINBBBFURNFT-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.27
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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Related Compounds

4-[2-(decylamino)propyl]phenol
CID 115494442
4-[2-(3-methylbutylamino)propyl]phenol
CID 115493888
5-fluoro-N-[1-(4-methylphenyl)propan-2-yl]pentan-1-amine
CID 110174705
4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol
CID 115493853
ethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate
CID 115494377
4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
4-[1-(4-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 62996197
4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624
4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol
CID 115494436
4-[2-[(3-hydroxy-4-methoxybutyl)amino]propyl]phenol
CID 106245098
4-[(2S)-2-hydrazinylpropyl]phenol
CID 97429943
N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine
CID 83155525

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoropropylamino)propyl]phenol?
The IUPAC name of 4-[2-(3-fluoropropylamino)propyl]phenol (CID 110174731) is 4-[2-(3-fluoropropylamino)propyl]phenol.
What is the SMILES notation for 4-[2-(3-fluoropropylamino)propyl]phenol?
The canonical SMILES for 4-[2-(3-fluoropropylamino)propyl]phenol is CC(Cc1ccc(O)cc1)NCCCF.
What is the InChIKey of 4-[2-(3-fluoropropylamino)propyl]phenol?
The InChIKey is VOKINBBBFURNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-10(14-8-2-7-13)9-11-3-5-12(15)6-4-11/h3-6,10,14-15H,2,7-9H2,1H3.
What are the key properties of 4-[2-(3-fluoropropylamino)propyl]phenol?
4-[2-(3-fluoropropylamino)propyl]phenol has a molecular weight of 211.28 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoropropylamino)propyl]phenol is sourced from PubChem (CID 110174731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).