5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol

C15H24FNO — CID 83142009

IUPAC5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
SMILESCC(NCC(C)C(C)(C)C)c1ccc(F)cc1O
InChIInChI=1S/C15H24FNO/c1-10(15(3,4)5)9-17-11(2)13-7-6-12(16)8-14(13)18/h6-8,10-11,17-18H,9H2,1-5H3
InChIKeyJTHVRKJWGBIWEM-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.86
Rot. Bonds4

About 5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol

5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol (PubChem CID 83142009) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
PubChem CID83142009
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
SMILESCC(NCC(C)C(C)(C)C)c1ccc(F)cc1O
InChIInChI=1S/C15H24FNO/c1-10(15(3,4)5)9-17-11(2)13-7-6-12(16)8-14(13)18/h6-8,10-11,17-18H,9H2,1-5H3
InChIKeyJTHVRKJWGBIWEM-UHFFFAOYSA-N
XLogP3.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.86
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

5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
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5-fluoro-2-[1-[(2-methylpropan-2-yl)oxyamino]ethyl]phenol
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5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol
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5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
CID 63066726
5-fluoro-2-[1-[(3-hydroxycyclobutyl)methylamino]ethyl]phenol
CID 66006234
2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-fluorophenol
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol (CID 83142009) is 5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol is CC(NCC(C)C(C)(C)C)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol?
The InChIKey is JTHVRKJWGBIWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-10(15(3,4)5)9-17-11(2)13-7-6-12(16)8-14(13)18/h6-8,10-11,17-18H,9H2,1-5H3.
What are the key properties of 5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol?
5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol has a molecular weight of 253.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol is sourced from PubChem (CID 83142009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).