4-(2-amino-4-fluorophenoxy)butan-1-ol

C10H14FNO2 — CID 62369836

IUPAC4-(2-amino-4-fluorophenoxy)butan-1-ol
SMILESNc1cc(F)ccc1OCCCCO
InChIInChI=1S/C10H14FNO2/c11-8-3-4-10(9(12)7-8)14-6-2-1-5-13/h3-4,7,13H,1-2,5-6,12H2
InChIKeyYKIGHFVBKCWWNN-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.56
Rot. Bonds5

About 4-(2-amino-4-fluorophenoxy)butan-1-ol

4-(2-amino-4-fluorophenoxy)butan-1-ol (PubChem CID 62369836) has the molecular formula C10H14FNO2 and a molecular weight of 199.23 g/mol. Its IUPAC name is 4-(2-amino-4-fluorophenoxy)butan-1-ol.

Molecular Properties

Compound Name4-(2-amino-4-fluorophenoxy)butan-1-ol
PubChem CID62369836
Molecular FormulaC10H14FNO2
Molecular Weight199.23 g/mol
Exact Mass199.10
IUPAC Name4-(2-amino-4-fluorophenoxy)butan-1-ol
SMILESNc1cc(F)ccc1OCCCCO
InChIInChI=1S/C10H14FNO2/c11-8-3-4-10(9(12)7-8)14-6-2-1-5-13/h3-4,7,13H,1-2,5-6,12H2
InChIKeyYKIGHFVBKCWWNN-UHFFFAOYSA-N
XLogP1.56
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(4-methoxybutoxy)aniline
CID 104646776
6-(2,5-difluorophenoxy)hexan-1-ol
CID 103867914
6-(2-bromo-5-fluorophenoxy)hexan-1-ol
CID 103867953
5-fluoro-2-(5-hydroxypentoxy)benzoic acid
CID 115297887
ethyl 4-(2-amino-4-fluorophenoxy)butanoate
CID 19742044
3-(2-amino-4-methylphenoxy)propan-1-ol
CID 43349600
4-(4-amino-2,5-difluorophenoxy)butan-1-ol
CID 63599718
5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
CID 104559855
5-(4-amino-2,5-difluorophenoxy)pentan-1-ol
CID 63597424
4-(2-fluorophenoxy)butan-1-ol
CID 43509993
5-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78932245
5-fluoro-2-[2-(3-methylbutoxy)ethoxy]aniline
CID 62368345

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-fluorophenoxy)butan-1-ol?
The IUPAC name of 4-(2-amino-4-fluorophenoxy)butan-1-ol (CID 62369836) is 4-(2-amino-4-fluorophenoxy)butan-1-ol.
What is the SMILES notation for 4-(2-amino-4-fluorophenoxy)butan-1-ol?
The canonical SMILES for 4-(2-amino-4-fluorophenoxy)butan-1-ol is Nc1cc(F)ccc1OCCCCO.
What is the InChIKey of 4-(2-amino-4-fluorophenoxy)butan-1-ol?
The InChIKey is YKIGHFVBKCWWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c11-8-3-4-10(9(12)7-8)14-6-2-1-5-13/h3-4,7,13H,1-2,5-6,12H2.
What are the key properties of 4-(2-amino-4-fluorophenoxy)butan-1-ol?
4-(2-amino-4-fluorophenoxy)butan-1-ol has a molecular weight of 199.23 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-fluorophenoxy)butan-1-ol is sourced from PubChem (CID 62369836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).