3-[1-[[1-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]phenol

C18H22FNO — CID 43685504

IUPAC3-[1-[[1-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]phenol
SMILESCC(NC(c1ccc(F)cc1)C(C)C)c1cccc(O)c1
InChIInChI=1S/C18H22FNO/c1-12(2)18(14-7-9-16(19)10-8-14)20-13(3)15-5-4-6-17(21)11-15/h4-13,18,20-21H,1-3H3
InChIKeyWLIUAOQCBXQFFH-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.58
Rot. Bonds5

About 3-[1-[[1-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]phenol

3-[1-[[1-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]phenol (PubChem CID 43685504) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-[1-[[1-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[[1-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]phenol
PubChem CID43685504
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name3-[1-[[1-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]phenol
SMILESCC(NC(c1ccc(F)cc1)C(C)C)c1cccc(O)c1
InChIInChI=1S/C18H22FNO/c1-12(2)18(14-7-9-16(19)10-8-14)20-13(3)15-5-4-6-17(21)11-15/h4-13,18,20-21H,1-3H3
InChIKeyWLIUAOQCBXQFFH-UHFFFAOYSA-N
XLogP4.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-[1-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 43685516
3-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol
CID 43723051
N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 43685470
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol
CID 43205919
1-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 43685494
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 83059762
(1R)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 81350639
1-(4-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363847
3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol
CID 43673297
(1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 81347759
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[1-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]phenol?
The IUPAC name of 3-[1-[[1-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]phenol (CID 43685504) is 3-[1-[[1-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]phenol.
What is the SMILES notation for 3-[1-[[1-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]phenol?
The canonical SMILES for 3-[1-[[1-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]phenol is CC(NC(c1ccc(F)cc1)C(C)C)c1cccc(O)c1.
What is the InChIKey of 3-[1-[[1-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]phenol?
The InChIKey is WLIUAOQCBXQFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12(2)18(14-7-9-16(19)10-8-14)20-13(3)15-5-4-6-17(21)11-15/h4-13,18,20-21H,1-3H3.
What are the key properties of 3-[1-[[1-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]phenol?
3-[1-[[1-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]phenol has a molecular weight of 287.38 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[1-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]phenol is sourced from PubChem (CID 43685504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).