2,4-dibromo-6-[1-(3-fluoropropylamino)ethyl]phenol

C11H14Br2FNO — CID 104583430

IUPAC2,4-dibromo-6-[1-(3-fluoropropylamino)ethyl]phenol
SMILESCC(NCCCF)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C11H14Br2FNO/c1-7(15-4-2-3-14)9-5-8(12)6-10(13)11(9)16/h5-7,15-16H,2-4H2,1H3
InChIKeyNIWMQPQCVBMEHL-UHFFFAOYSA-N
MW355.05 g/mol
LogP3.93
Rot. Bonds5

About 2,4-dibromo-6-[1-(3-fluoropropylamino)ethyl]phenol

2,4-dibromo-6-[1-(3-fluoropropylamino)ethyl]phenol (PubChem CID 104583430) has the molecular formula C11H14Br2FNO and a molecular weight of 355.05 g/mol. Its IUPAC name is 2,4-dibromo-6-[1-(3-fluoropropylamino)ethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[1-(3-fluoropropylamino)ethyl]phenol
PubChem CID104583430
Molecular FormulaC11H14Br2FNO
Molecular Weight355.05 g/mol
Exact Mass352.94
IUPAC Name2,4-dibromo-6-[1-(3-fluoropropylamino)ethyl]phenol
SMILESCC(NCCCF)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C11H14Br2FNO/c1-7(15-4-2-3-14)9-5-8(12)6-10(13)11(9)16/h5-7,15-16H,2-4H2,1H3
InChIKeyNIWMQPQCVBMEHL-UHFFFAOYSA-N
XLogP3.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.05
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-6-[1-(prop-2-ynylamino)ethyl]phenol
CID 104581528
4-bromo-2-[1-(but-2-ynylamino)ethyl]-6-fluorophenol
CID 104583639
2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol
CID 131473324
2,4-dibromo-6-[(1S)-1,3-diaminopropyl]phenol
CID 131101236
2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-dibromophenol
CID 130990105
N'-[1-(4-bromo-2-fluorophenyl)ethyl]propane-1,3-diamine
CID 82963535
3-[(3,5-dibromo-2-hydroxyphenyl)methylamino]butanenitrile
CID 104586880
1-(3,5-dibromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859166
2-[(1R)-1-aminopentyl]-4,6-dibromophenol;hydrochloride
CID 171197666
N-[1-(2,4-dibromophenyl)ethyl]-3-phenoxypropan-1-amine
CID 63478861
4-bromo-2-chloro-6-[1-(cyclopropylmethylamino)ethyl]phenol
CID 104581720
5-bromo-2-[1-(3-methylsulfanylpropylamino)ethyl]phenol
CID 104582561

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[1-(3-fluoropropylamino)ethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[1-(3-fluoropropylamino)ethyl]phenol (CID 104583430) is 2,4-dibromo-6-[1-(3-fluoropropylamino)ethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[1-(3-fluoropropylamino)ethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[1-(3-fluoropropylamino)ethyl]phenol is CC(NCCCF)c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-[1-(3-fluoropropylamino)ethyl]phenol?
The InChIKey is NIWMQPQCVBMEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2FNO/c1-7(15-4-2-3-14)9-5-8(12)6-10(13)11(9)16/h5-7,15-16H,2-4H2,1H3.
What are the key properties of 2,4-dibromo-6-[1-(3-fluoropropylamino)ethyl]phenol?
2,4-dibromo-6-[1-(3-fluoropropylamino)ethyl]phenol has a molecular weight of 355.05 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[1-(3-fluoropropylamino)ethyl]phenol is sourced from PubChem (CID 104583430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).