3-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]pentan-1-ol

C15H24FNO — CID 111498765

IUPAC3-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]pentan-1-ol
SMILESCCC(CC)(CCO)CNCc1ccccc1F
InChIInChI=1S/C15H24FNO/c1-3-15(4-2,9-10-18)12-17-11-13-7-5-6-8-14(13)16/h5-8,17-18H,3-4,9-12H2,1-2H3
InChIKeyDZCZPUFQTBYMHO-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.10
Rot. Bonds8

About 3-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]pentan-1-ol

3-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]pentan-1-ol (PubChem CID 111498765) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 3-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]pentan-1-ol
PubChem CID111498765
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name3-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]pentan-1-ol
SMILESCCC(CC)(CCO)CNCc1ccccc1F
InChIInChI=1S/C15H24FNO/c1-3-15(4-2,9-10-18)12-17-11-13-7-5-6-8-14(13)16/h5-8,17-18H,3-4,9-12H2,1-2H3
InChIKeyDZCZPUFQTBYMHO-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 61168585
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CID 103702098
N-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)-2-ethylbutan-1-amine
CID 106252455
2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol
CID 66058091
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol
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N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 83962888
1-[(2-chlorophenyl)methyl]-3-(2,2-diethyl-4-hydroxybutyl)urea
CID 111499050
2-(2,2-diethyl-4-hydroxybutyl)-1-ethyl-3-[2-(2-fluorophenyl)ethyl]guanidine;hydroiodide
CID 111716411
1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 61042939
1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421975
4-[(2-fluorophenyl)methylamino]-2-phenylbutan-2-ol
CID 57153727
1-(2-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 43221048

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]pentan-1-ol?
The IUPAC name of 3-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]pentan-1-ol (CID 111498765) is 3-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]pentan-1-ol.
What is the SMILES notation for 3-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]pentan-1-ol?
The canonical SMILES for 3-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]pentan-1-ol is CCC(CC)(CCO)CNCc1ccccc1F.
What is the InChIKey of 3-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]pentan-1-ol?
The InChIKey is DZCZPUFQTBYMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-3-15(4-2,9-10-18)12-17-11-13-7-5-6-8-14(13)16/h5-8,17-18H,3-4,9-12H2,1-2H3.
What are the key properties of 3-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]pentan-1-ol?
3-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]pentan-1-ol has a molecular weight of 253.36 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]pentan-1-ol is sourced from PubChem (CID 111498765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).