2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol

C17H20FNO — CID 43201977

IUPAC2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol
SMILESCCC(NC(C)c1ccc(F)cc1)c1ccccc1O
InChIInChI=1S/C17H20FNO/c1-3-16(15-6-4-5-7-17(15)20)19-12(2)13-8-10-14(18)11-9-13/h4-12,16,19-20H,3H2,1-2H3
InChIKeyWNYCZYDGACMCAZ-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.33
Rot. Bonds5

About 2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol

2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol (PubChem CID 43201977) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol
PubChem CID43201977
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol
SMILESCCC(NC(C)c1ccc(F)cc1)c1ccccc1O
InChIInChI=1S/C17H20FNO/c1-3-16(15-6-4-5-7-17(15)20)19-12(2)13-8-10-14(18)11-9-13/h4-12,16,19-20H,3H2,1-2H3
InChIKeyWNYCZYDGACMCAZ-UHFFFAOYSA-N
XLogP4.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(1-phenylethylamino)propyl]phenol
CID 43189917
2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81356961
2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol
CID 81347161
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine
CID 43680068
2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
CID 43680009
1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 81389010
N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994193
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 60946165
2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol
CID 81377530
2-[1-[[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]amino]propyl]phenol
CID 154797670
2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol?
The IUPAC name of 2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol (CID 43201977) is 2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol.
What is the SMILES notation for 2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol?
The canonical SMILES for 2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol is CCC(NC(C)c1ccc(F)cc1)c1ccccc1O.
What is the InChIKey of 2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol?
The InChIKey is WNYCZYDGACMCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-16(15-6-4-5-7-17(15)20)19-12(2)13-8-10-14(18)11-9-13/h4-12,16,19-20H,3H2,1-2H3.
What are the key properties of 2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol?
2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol has a molecular weight of 273.35 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol is sourced from PubChem (CID 43201977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).