3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol

C15H24FNO2 — CID 106144463

IUPAC3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol
SMILESCC(NCC(C)(C)CCCO)c1ccc(O)cc1F
InChIInChI=1S/C15H24FNO2/c1-11(13-6-5-12(19)9-14(13)16)17-10-15(2,3)7-4-8-18/h5-6,9,11,17-19H,4,7-8,10H2,1-3H3
InChIKeyGREIQIYUKGMVMF-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.98
Rot. Bonds7

About 3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol

3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol (PubChem CID 106144463) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol
PubChem CID106144463
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol
SMILESCC(NCC(C)(C)CCCO)c1ccc(O)cc1F
InChIInChI=1S/C15H24FNO2/c1-11(13-6-5-12(19)9-14(13)16)17-10-15(2,3)7-4-8-18/h5-6,9,11,17-19H,4,7-8,10H2,1-3H3
InChIKeyGREIQIYUKGMVMF-UHFFFAOYSA-N
XLogP2.98
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(2-bromo-4-fluorophenyl)ethylamino]-4,4-dimethylpentan-1-ol
CID 103898959
2-[1-[(4-hydroxy-2,2-dimethylbutyl)amino]ethyl]benzene-1,4-diol
CID 106143682
3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol
CID 107715334
4-[1-(2-bromo-4-fluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 103787544
4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol
CID 107715210
4,4-dimethyl-5-(1-thiophen-3-ylethylamino)pentan-1-ol
CID 103898870
4-[1-(2,3-difluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 103924841
4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol
CID 107715500
4-[1-(5-hydroxypentylamino)ethyl]benzene-1,3-diol
CID 107316713
5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 103898963
3-fluoro-4-[1-(2-methylsulfinylethylamino)ethyl]phenol
CID 107715438
tert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate
CID 107715517

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol (CID 106144463) is 3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol is CC(NCC(C)(C)CCCO)c1ccc(O)cc1F.
What is the InChIKey of 3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol?
The InChIKey is GREIQIYUKGMVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-11(13-6-5-12(19)9-14(13)16)17-10-15(2,3)7-4-8-18/h5-6,9,11,17-19H,4,7-8,10H2,1-3H3.
What are the key properties of 3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol?
3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol has a molecular weight of 269.36 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol is sourced from PubChem (CID 106144463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).