4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol

C17H20FNO — CID 43205938

IUPAC4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol
SMILESCCC(NC(C)c1cccc(F)c1)c1ccc(O)cc1
InChIInChI=1S/C17H20FNO/c1-3-17(13-7-9-16(20)10-8-13)19-12(2)14-5-4-6-15(18)11-14/h4-12,17,19-20H,3H2,1-2H3
InChIKeyBQMVTWUETJVEQE-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.33
Rot. Bonds5

About 4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol

4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol (PubChem CID 43205938) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol
PubChem CID43205938
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol
SMILESCCC(NC(C)c1cccc(F)c1)c1ccc(O)cc1
InChIInChI=1S/C17H20FNO/c1-3-17(13-7-9-16(20)10-8-13)19-12(2)14-5-4-6-15(18)11-14/h4-12,17,19-20H,3H2,1-2H3
InChIKeyBQMVTWUETJVEQE-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

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Related Compounds

N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 81364729
4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol
CID 43205919
4-[1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propyl]phenol
CID 81381060
4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol
CID 43680964
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114986430
1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365780
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81369195
3-[1-[1-(4-bromophenyl)propylamino]ethyl]phenol
CID 43692345
N-[1-(2,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871218
4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81349500
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol?
The IUPAC name of 4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol (CID 43205938) is 4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol.
What is the SMILES notation for 4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol?
The canonical SMILES for 4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol is CCC(NC(C)c1cccc(F)c1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol?
The InChIKey is BQMVTWUETJVEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-17(13-7-9-16(20)10-8-13)19-12(2)14-5-4-6-15(18)11-14/h4-12,17,19-20H,3H2,1-2H3.
What are the key properties of 4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol?
4-[1-[1-(3-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 4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol is sourced from PubChem (CID 43205938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).