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

C15H24FNO — CID 102613622

IUPAC4-fluoro-2-[1-(2,2,3-trimethylbutylamino)ethyl]phenol
SMILESCC(NCC(C)(C)C(C)C)c1cc(F)ccc1O
InChIInChI=1S/C15H24FNO/c1-10(2)15(4,5)9-17-11(3)13-8-12(16)6-7-14(13)18/h6-8,10-11,17-18H,9H2,1-5H3
InChIKeySGPQWXGYGJWEHY-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.86
Rot. Bonds5

About 4-fluoro-2-[1-(2,2,3-trimethylbutylamino)ethyl]phenol

4-fluoro-2-[1-(2,2,3-trimethylbutylamino)ethyl]phenol (PubChem CID 102613622) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 4-fluoro-2-[1-(2,2,3-trimethylbutylamino)ethyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[1-(2,2,3-trimethylbutylamino)ethyl]phenol
PubChem CID102613622
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name4-fluoro-2-[1-(2,2,3-trimethylbutylamino)ethyl]phenol
SMILESCC(NCC(C)(C)C(C)C)c1cc(F)ccc1O
InChIInChI=1S/C15H24FNO/c1-10(2)15(4,5)9-17-11(3)13-8-12(16)6-7-14(13)18/h6-8,10-11,17-18H,9H2,1-5H3
InChIKeySGPQWXGYGJWEHY-UHFFFAOYSA-N
XLogP3.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

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tert-butyl N-[1-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-2-methylpropan-2-yl]carbamate
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4-fluoro-2-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]phenol
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4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol
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4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol
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5-fluoro-2-[1-(2,2,2-trifluoroethylamino)ethyl]phenol
CID 63064753
4-fluoro-2-(1-hydrazinylethyl)phenol
CID 53402356
2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol
CID 65102724
2-[(1S)-1-[[(2R)-butan-2-yl]amino]ethyl]-4-fluorophenol
CID 97050884
4-fluoro-2-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]phenol
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3-[1-(2,5-difluorophenyl)ethylamino]-2-methylpropane-1,2-diol
CID 66170679
2-[(1S)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050878

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[1-(2,2,3-trimethylbutylamino)ethyl]phenol?
The IUPAC name of 4-fluoro-2-[1-(2,2,3-trimethylbutylamino)ethyl]phenol (CID 102613622) is 4-fluoro-2-[1-(2,2,3-trimethylbutylamino)ethyl]phenol.
What is the SMILES notation for 4-fluoro-2-[1-(2,2,3-trimethylbutylamino)ethyl]phenol?
The canonical SMILES for 4-fluoro-2-[1-(2,2,3-trimethylbutylamino)ethyl]phenol is CC(NCC(C)(C)C(C)C)c1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[1-(2,2,3-trimethylbutylamino)ethyl]phenol?
The InChIKey is SGPQWXGYGJWEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-10(2)15(4,5)9-17-11(3)13-8-12(16)6-7-14(13)18/h6-8,10-11,17-18H,9H2,1-5H3.
What are the key properties of 4-fluoro-2-[1-(2,2,3-trimethylbutylamino)ethyl]phenol?
4-fluoro-2-[1-(2,2,3-trimethylbutylamino)ethyl]phenol has a molecular weight of 253.36 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[1-(2,2,3-trimethylbutylamino)ethyl]phenol is sourced from PubChem (CID 102613622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).