2-(4-aminobutyl)-6-fluorophenol

C10H14FNO — CID 117279586

IUPAC2-(4-aminobutyl)-6-fluorophenol
SMILESNCCCCc1cccc(F)c1O
InChIInChI=1S/C10H14FNO/c11-9-6-3-5-8(10(9)13)4-1-2-7-12/h3,5-6,13H,1-2,4,7,12H2
InChIKeyQGHWGQSYRYESEL-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.81
Rot. Bonds4

About 2-(4-aminobutyl)-6-fluorophenol

2-(4-aminobutyl)-6-fluorophenol (PubChem CID 117279586) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-(4-aminobutyl)-6-fluorophenol.

Molecular Properties

Compound Name2-(4-aminobutyl)-6-fluorophenol
PubChem CID117279586
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-(4-aminobutyl)-6-fluorophenol
SMILESNCCCCc1cccc(F)c1O
InChIInChI=1S/C10H14FNO/c11-9-6-3-5-8(10(9)13)4-1-2-7-12/h3,5-6,13H,1-2,4,7,12H2
InChIKeyQGHWGQSYRYESEL-UHFFFAOYSA-N
XLogP1.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.81
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

2-(3-aminopropyl)-6-(fluoromethyl)phenol
CID 84659153
3-(3-aminopropyl)-6-fluorobenzene-1,2-diol
CID 117280042
3-(3-fluoro-2-hydroxyphenyl)propanal
CID 117276587
3-(4-fluorobutyl)benzene-1,2-diol
CID 68899588
2-(bromomethyl)-6-fluorophenol
CID 86086661
2-(4-aminobutyl)-4,5-difluorophenol
CID 117289972
2-(4-aminobutyl)-6-chloroaniline
CID 105451896
3-(4-aminobutyl)-2-methoxyphenol
CID 117285526
2-(4-aminobutyl)benzene-1,3-diol
CID 117278743
2-(3-fluoro-2-hydroxyphenyl)ethanimidamide
CID 83676622
2-fluoro-6-(nitrosomethyl)phenol
CID 91467054
3-(2-fluoro-3-methylphenyl)propan-1-amine
CID 70348406

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutyl)-6-fluorophenol?
The IUPAC name of 2-(4-aminobutyl)-6-fluorophenol (CID 117279586) is 2-(4-aminobutyl)-6-fluorophenol.
What is the SMILES notation for 2-(4-aminobutyl)-6-fluorophenol?
The canonical SMILES for 2-(4-aminobutyl)-6-fluorophenol is NCCCCc1cccc(F)c1O.
What is the InChIKey of 2-(4-aminobutyl)-6-fluorophenol?
The InChIKey is QGHWGQSYRYESEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c11-9-6-3-5-8(10(9)13)4-1-2-7-12/h3,5-6,13H,1-2,4,7,12H2.
What are the key properties of 2-(4-aminobutyl)-6-fluorophenol?
2-(4-aminobutyl)-6-fluorophenol has a molecular weight of 183.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutyl)-6-fluorophenol is sourced from PubChem (CID 117279586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).