[3-[butan-2-yl(ethyl)amino]-5-fluorophenyl]methanol

C13H20FNO — CID 106529699

IUPAC[3-[butan-2-yl(ethyl)amino]-5-fluorophenyl]methanol
SMILESCCC(C)N(CC)c1cc(F)cc(CO)c1
InChIInChI=1S/C13H20FNO/c1-4-10(3)15(5-2)13-7-11(9-16)6-12(14)8-13/h6-8,10,16H,4-5,9H2,1-3H3
InChIKeyLJFGQFXUBUZFOZ-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.94
Rot. Bonds5

About [3-[butan-2-yl(ethyl)amino]-5-fluorophenyl]methanol

[3-[butan-2-yl(ethyl)amino]-5-fluorophenyl]methanol (PubChem CID 106529699) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is [3-[butan-2-yl(ethyl)amino]-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-[butan-2-yl(ethyl)amino]-5-fluorophenyl]methanol
PubChem CID106529699
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name[3-[butan-2-yl(ethyl)amino]-5-fluorophenyl]methanol
SMILESCCC(C)N(CC)c1cc(F)cc(CO)c1
InChIInChI=1S/C13H20FNO/c1-4-10(3)15(5-2)13-7-11(9-16)6-12(14)8-13/h6-8,10,16H,4-5,9H2,1-3H3
InChIKeyLJFGQFXUBUZFOZ-UHFFFAOYSA-N
XLogP2.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol
CID 106529697
(E)-3-[3-[butan-2-yl(ethyl)amino]-5-fluorophenyl]prop-2-enoic acid
CID 106531407
(3-fluoro-5-propan-2-ylphenyl)methanol
CID 59192640
[3-[ethyl(prop-2-ynyl)amino]-5-fluorophenyl]methanol
CID 106529981
2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol
CID 102813731
[3-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]methanol
CID 106529874
[3-[cyclopropylmethyl(propyl)amino]-5-fluorophenyl]methanol
CID 106529769
3-[3-fluoro-5-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
CID 106530897
[3-(hydroxymethyl)-5-propan-2-ylphenyl]methanol
CID 122692713
3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 106532725
[6-[butan-2-yl(ethyl)amino]-3-pyridinyl]methanol
CID 61257475
3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline
CID 106532666

Frequently Asked Questions

What is the IUPAC name of [3-[butan-2-yl(ethyl)amino]-5-fluorophenyl]methanol?
The IUPAC name of [3-[butan-2-yl(ethyl)amino]-5-fluorophenyl]methanol (CID 106529699) is [3-[butan-2-yl(ethyl)amino]-5-fluorophenyl]methanol.
What is the SMILES notation for [3-[butan-2-yl(ethyl)amino]-5-fluorophenyl]methanol?
The canonical SMILES for [3-[butan-2-yl(ethyl)amino]-5-fluorophenyl]methanol is CCC(C)N(CC)c1cc(F)cc(CO)c1.
What is the InChIKey of [3-[butan-2-yl(ethyl)amino]-5-fluorophenyl]methanol?
The InChIKey is LJFGQFXUBUZFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-10(3)15(5-2)13-7-11(9-16)6-12(14)8-13/h6-8,10,16H,4-5,9H2,1-3H3.
What are the key properties of [3-[butan-2-yl(ethyl)amino]-5-fluorophenyl]methanol?
[3-[butan-2-yl(ethyl)amino]-5-fluorophenyl]methanol has a molecular weight of 225.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[butan-2-yl(ethyl)amino]-5-fluorophenyl]methanol is sourced from PubChem (CID 106529699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).