4-fluoro-2-[1-[(2-propylcyclopropyl)amino]ethyl]phenol

C14H20FNO — CID 104583308

IUPAC4-fluoro-2-[1-[(2-propylcyclopropyl)amino]ethyl]phenol
SMILESCCCC1CC1NC(C)c1cc(F)ccc1O
InChIInChI=1S/C14H20FNO/c1-3-4-10-7-13(10)16-9(2)12-8-11(15)5-6-14(12)17/h5-6,8-10,13,16-17H,3-4,7H2,1-2H3
InChIKeyUHYVGGSDVVKZAI-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.37
Rot. Bonds5

About 4-fluoro-2-[1-[(2-propylcyclopropyl)amino]ethyl]phenol

4-fluoro-2-[1-[(2-propylcyclopropyl)amino]ethyl]phenol (PubChem CID 104583308) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-fluoro-2-[1-[(2-propylcyclopropyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[1-[(2-propylcyclopropyl)amino]ethyl]phenol
PubChem CID104583308
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name4-fluoro-2-[1-[(2-propylcyclopropyl)amino]ethyl]phenol
SMILESCCCC1CC1NC(C)c1cc(F)ccc1O
InChIInChI=1S/C14H20FNO/c1-3-4-10-7-13(10)16-9(2)12-8-11(15)5-6-14(12)17/h5-6,8-10,13,16-17H,3-4,7H2,1-2H3
InChIKeyUHYVGGSDVVKZAI-UHFFFAOYSA-N
XLogP3.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.37
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

N-[1-(3-fluorophenyl)ethyl]-2-propylcyclopropan-1-amine
CID 115892229
2-[(1S)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050878
2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050879
2-[(1S)-1-[[(2R)-butan-2-yl]amino]ethyl]-4-fluorophenol
CID 97050884
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-propylcyclopropan-1-amine
CID 103902739
4-fluoro-2-(1-hydrazinylethyl)phenol
CID 53402356
4-fluoro-2-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]phenol
CID 104980959
2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol
CID 104582321
4-fluoro-2-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]phenol
CID 113429342
N-[1-(2,5-difluorophenyl)ethyl]-2-ethylcyclohexan-1-amine
CID 43709409
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-propylcyclopropan-1-amine
CID 103921920
4-fluoro-2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]phenol
CID 104582302

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[1-[(2-propylcyclopropyl)amino]ethyl]phenol?
The IUPAC name of 4-fluoro-2-[1-[(2-propylcyclopropyl)amino]ethyl]phenol (CID 104583308) is 4-fluoro-2-[1-[(2-propylcyclopropyl)amino]ethyl]phenol.
What is the SMILES notation for 4-fluoro-2-[1-[(2-propylcyclopropyl)amino]ethyl]phenol?
The canonical SMILES for 4-fluoro-2-[1-[(2-propylcyclopropyl)amino]ethyl]phenol is CCCC1CC1NC(C)c1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[1-[(2-propylcyclopropyl)amino]ethyl]phenol?
The InChIKey is UHYVGGSDVVKZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-4-10-7-13(10)16-9(2)12-8-11(15)5-6-14(12)17/h5-6,8-10,13,16-17H,3-4,7H2,1-2H3.
What are the key properties of 4-fluoro-2-[1-[(2-propylcyclopropyl)amino]ethyl]phenol?
4-fluoro-2-[1-[(2-propylcyclopropyl)amino]ethyl]phenol has a molecular weight of 237.32 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[1-[(2-propylcyclopropyl)amino]ethyl]phenol is sourced from PubChem (CID 104583308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).