2-fluoro-4-[2-(propylamino)ethyl]phenol

C11H16FNO — CID 107693740

IUPAC2-fluoro-4-[2-(propylamino)ethyl]phenol
SMILESCCCNCCc1ccc(O)c(F)c1
InChIInChI=1S/C11H16FNO/c1-2-6-13-7-5-9-3-4-11(14)10(12)8-9/h3-4,8,13-14H,2,5-7H2,1H3
InChIKeyYDWAJCZLRIBQRZ-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.07
Rot. Bonds5

About 2-fluoro-4-[2-(propylamino)ethyl]phenol

2-fluoro-4-[2-(propylamino)ethyl]phenol (PubChem CID 107693740) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-fluoro-4-[2-(propylamino)ethyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[2-(propylamino)ethyl]phenol
PubChem CID107693740
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-fluoro-4-[2-(propylamino)ethyl]phenol
SMILESCCCNCCc1ccc(O)c(F)c1
InChIInChI=1S/C11H16FNO/c1-2-6-13-7-5-9-3-4-11(14)10(12)8-9/h3-4,8,13-14H,2,5-7H2,1H3
InChIKeyYDWAJCZLRIBQRZ-UHFFFAOYSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;2-fluoro-4-[2-(methylamino)ethyl]phenol
CID 155581862
4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol
CID 107685294
N-[2-(4-ethylphenyl)ethyl]propan-1-amine
CID 62550246
N-[2-(4-propylphenyl)ethyl]propan-1-amine
CID 62801755
2-fluoro-4-(propylamino)phenol
CID 64780527
1-ethyl-2-[(3-fluoro-4-hydroxyphenyl)methyl]-3-propylguanidine;hydroiodide
CID 111794038
3-(4-chloro-3-fluorophenyl)-N-propylpropan-1-amine
CID 107886749
N-[2-(3-propylphenyl)ethyl]propan-1-amine
CID 116545552
3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
CID 107290177
2-fluoro-4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol
CID 107685868
N-[2-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 64866405
2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol
CID 98014591

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-(propylamino)ethyl]phenol?
The IUPAC name of 2-fluoro-4-[2-(propylamino)ethyl]phenol (CID 107693740) is 2-fluoro-4-[2-(propylamino)ethyl]phenol.
What is the SMILES notation for 2-fluoro-4-[2-(propylamino)ethyl]phenol?
The canonical SMILES for 2-fluoro-4-[2-(propylamino)ethyl]phenol is CCCNCCc1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[2-(propylamino)ethyl]phenol?
The InChIKey is YDWAJCZLRIBQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-2-6-13-7-5-9-3-4-11(14)10(12)8-9/h3-4,8,13-14H,2,5-7H2,1H3.
What are the key properties of 2-fluoro-4-[2-(propylamino)ethyl]phenol?
2-fluoro-4-[2-(propylamino)ethyl]phenol has a molecular weight of 197.25 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-(propylamino)ethyl]phenol is sourced from PubChem (CID 107693740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).