1-[ethyl-[[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]-2-methylpropan-2-ol

C17H24FNO2 — CID 79379712

IUPAC1-[ethyl-[[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]-2-methylpropan-2-ol
SMILESCCN(Cc1ccc(F)c(C#CCCO)c1)CC(C)(C)O
InChIInChI=1S/C17H24FNO2/c1-4-19(13-17(2,3)21)12-14-8-9-16(18)15(11-14)7-5-6-10-20/h8-9,11,20-21H,4,6,10,12-13H2,1-3H3
InChIKeyISOFCKWNAVQLCC-UHFFFAOYSA-N
MW293.38 g/mol
LogP2.15
Rot. Bonds6

About 1-[ethyl-[[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]-2-methylpropan-2-ol

1-[ethyl-[[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]-2-methylpropan-2-ol (PubChem CID 79379712) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-[ethyl-[[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]-2-methylpropan-2-ol
PubChem CID79379712
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name1-[ethyl-[[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]-2-methylpropan-2-ol
SMILESCCN(Cc1ccc(F)c(C#CCCO)c1)CC(C)(C)O
InChIInChI=1S/C17H24FNO2/c1-4-19(13-17(2,3)21)12-14-8-9-16(18)15(11-14)7-5-6-10-20/h8-9,11,20-21H,4,6,10,12-13H2,1-3H3
InChIKeyISOFCKWNAVQLCC-UHFFFAOYSA-N
XLogP2.15
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorophenyl]prop-2-yn-1-ol
CID 54970221
1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 78962077
3-[5-[[ethyl(2-methylbutyl)amino]methyl]-2-fluorophenyl]prop-2-yn-1-ol
CID 79483023
5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzonitrile
CID 103758364
1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79389462
N-ethyl-3-(4-hydroxybut-1-ynyl)-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 79386106
1-[2,3-dihydro-1H-inden-5-ylmethyl(ethyl)amino]-2-methylpropan-2-ol
CID 78966629
4-[3-(diethylaminomethyl)phenyl]but-3-yn-1-ol
CID 54969736
4-(5-bromo-2-fluorophenyl)but-3-yn-1-ol
CID 79742605
4-[5-(2,2-difluoroethoxymethyl)-2-fluorophenyl]but-3-yn-1-ol
CID 82006210
2-[[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]methyl-methylamino]propan-1-ol
CID 104553979
4-[5-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-2-fluorophenyl]but-3-yn-1-ol
CID 62402353

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]-2-methylpropan-2-ol (CID 79379712) is 1-[ethyl-[[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]-2-methylpropan-2-ol is CCN(Cc1ccc(F)c(C#CCCO)c1)CC(C)(C)O.
What is the InChIKey of 1-[ethyl-[[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]-2-methylpropan-2-ol?
The InChIKey is ISOFCKWNAVQLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-4-19(13-17(2,3)21)12-14-8-9-16(18)15(11-14)7-5-6-10-20/h8-9,11,20-21H,4,6,10,12-13H2,1-3H3.
What are the key properties of 1-[ethyl-[[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]-2-methylpropan-2-ol has a molecular weight of 293.38 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 79379712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).