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

C16H18FNO — CID 43205919

IUPAC4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol
SMILESCC(NC(C)c1cccc(F)c1)c1ccc(O)cc1
InChIInChI=1S/C16H18FNO/c1-11(13-6-8-16(19)9-7-13)18-12(2)14-4-3-5-15(17)10-14/h3-12,18-19H,1-2H3
InChIKeyVQCPAWMPWJCXCZ-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.94
Rot. Bonds4

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

4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol (PubChem CID 43205919) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol
PubChem CID43205919
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol
SMILESCC(NC(C)c1cccc(F)c1)c1ccc(O)cc1
InChIInChI=1S/C16H18FNO/c1-11(13-6-8-16(19)9-7-13)18-12(2)14-4-3-5-15(17)10-14/h3-12,18-19H,1-2H3
InChIKeyVQCPAWMPWJCXCZ-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol
CID 43205938
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634
(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405407
4-[1-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethyl]benzonitrile
CID 81365102
4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol
CID 43680984
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376
4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol
CID 60944294
N-[(1S)-1-(3-fluorophenyl)ethyl]but-3-yn-2-amine
CID 104865323
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine
CID 81364871
1-(4-fluorophenyl)-N-[1-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 43685516

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol?
The IUPAC name of 4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol (CID 43205919) is 4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol.
What is the SMILES notation for 4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol?
The canonical SMILES for 4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol is CC(NC(C)c1cccc(F)c1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol?
The InChIKey is VQCPAWMPWJCXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11(13-6-8-16(19)9-7-13)18-12(2)14-4-3-5-15(17)10-14/h3-12,18-19H,1-2H3.
What are the key properties of 4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol?
4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol has a molecular weight of 259.32 g/mol, XLogP of 3.94, 4 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]ethyl]phenol is sourced from PubChem (CID 43205919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).