4-[1-[[cyclopropyl(phenyl)methyl]amino]ethyl]-3-fluorophenol

C18H20FNO — CID 107714853

IUPAC4-[1-[[cyclopropyl(phenyl)methyl]amino]ethyl]-3-fluorophenol
SMILESCC(NC(c1ccccc1)C1CC1)c1ccc(O)cc1F
InChIInChI=1S/C18H20FNO/c1-12(16-10-9-15(21)11-17(16)19)20-18(14-7-8-14)13-5-3-2-4-6-13/h2-6,9-12,14,18,20-21H,7-8H2,1H3
InChIKeySFSSSMFOCOHIIE-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.33
Rot. Bonds5

About 4-[1-[[cyclopropyl(phenyl)methyl]amino]ethyl]-3-fluorophenol

4-[1-[[cyclopropyl(phenyl)methyl]amino]ethyl]-3-fluorophenol (PubChem CID 107714853) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 4-[1-[[cyclopropyl(phenyl)methyl]amino]ethyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[1-[[cyclopropyl(phenyl)methyl]amino]ethyl]-3-fluorophenol
PubChem CID107714853
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name4-[1-[[cyclopropyl(phenyl)methyl]amino]ethyl]-3-fluorophenol
SMILESCC(NC(c1ccccc1)C1CC1)c1ccc(O)cc1F
InChIInChI=1S/C18H20FNO/c1-12(16-10-9-15(21)11-17(16)19)20-18(14-7-8-14)13-5-3-2-4-6-13/h2-6,9-12,14,18,20-21H,7-8H2,1H3
InChIKeySFSSSMFOCOHIIE-UHFFFAOYSA-N
XLogP4.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol
CID 107715312
N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43724263
N-[cyclopropyl(phenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
CID 60781974
(1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81378467
4-[1-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]-3-fluorophenol
CID 107715306
(1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81366288
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol
CID 107715286
4-[2-[[cyclopropyl(phenyl)methyl]amino]propyl]phenol
CID 115494135
N-[cyclopropyl(phenyl)methyl]-1-thiophen-3-ylethanamine
CID 62091573
3-fluoro-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol
CID 107714620
4-[1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]benzene-1,3-diol
CID 81379941

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[cyclopropyl(phenyl)methyl]amino]ethyl]-3-fluorophenol?
The IUPAC name of 4-[1-[[cyclopropyl(phenyl)methyl]amino]ethyl]-3-fluorophenol (CID 107714853) is 4-[1-[[cyclopropyl(phenyl)methyl]amino]ethyl]-3-fluorophenol.
What is the SMILES notation for 4-[1-[[cyclopropyl(phenyl)methyl]amino]ethyl]-3-fluorophenol?
The canonical SMILES for 4-[1-[[cyclopropyl(phenyl)methyl]amino]ethyl]-3-fluorophenol is CC(NC(c1ccccc1)C1CC1)c1ccc(O)cc1F.
What is the InChIKey of 4-[1-[[cyclopropyl(phenyl)methyl]amino]ethyl]-3-fluorophenol?
The InChIKey is SFSSSMFOCOHIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12(16-10-9-15(21)11-17(16)19)20-18(14-7-8-14)13-5-3-2-4-6-13/h2-6,9-12,14,18,20-21H,7-8H2,1H3.
What are the key properties of 4-[1-[[cyclopropyl(phenyl)methyl]amino]ethyl]-3-fluorophenol?
4-[1-[[cyclopropyl(phenyl)methyl]amino]ethyl]-3-fluorophenol has a molecular weight of 285.36 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-[[cyclopropyl(phenyl)methyl]amino]ethyl]-3-fluorophenol is sourced from PubChem (CID 107714853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).