N-ethyl-N-methylpropan-2-amine;5-fluoro-2-hydroxybenzaldehyde

C13H20FNO2 — CID 176923353

IUPACN-ethyl-N-methylpropan-2-amine;5-fluoro-2-hydroxybenzaldehyde
SMILESCCN(C)C(C)C.O=Cc1cc(F)ccc1O
InChIInChI=1S/C7H5FO2.C6H15N/c8-6-1-2-7(10)5(3-6)4-9;1-5-7(4)6(2)3/h1-4,10H;6H,5H2,1-4H3
InChIKeyMCURLWRFYODTRK-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.69
Rot. Bonds3

About N-ethyl-N-methylpropan-2-amine;5-fluoro-2-hydroxybenzaldehyde

N-ethyl-N-methylpropan-2-amine;5-fluoro-2-hydroxybenzaldehyde (PubChem CID 176923353) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is N-ethyl-N-methylpropan-2-amine;5-fluoro-2-hydroxybenzaldehyde.

Molecular Properties

Compound NameN-ethyl-N-methylpropan-2-amine;5-fluoro-2-hydroxybenzaldehyde
PubChem CID176923353
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC NameN-ethyl-N-methylpropan-2-amine;5-fluoro-2-hydroxybenzaldehyde
SMILESCCN(C)C(C)C.O=Cc1cc(F)ccc1O
InChIInChI=1S/C7H5FO2.C6H15N/c8-6-1-2-7(10)5(3-6)4-9;1-5-7(4)6(2)3/h1-4,10H;6H,5H2,1-4H3
InChIKeyMCURLWRFYODTRK-UHFFFAOYSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(diethylamino)ethyl]-2-hydroxybenzaldehyde
CID 105477801
3,5-difluoro-2-hydroxybenzaldehyde;2,4-difluorophenol
CID 159523746
5-fluoro-2-(2-hydroxypropyl)benzaldehyde
CID 117279046
2-[ethyl(2-methylbutyl)amino]-5-fluorobenzaldehyde
CID 79477155
2-[2-[butan-2-yl(methyl)amino]ethyl]-4-fluorobenzaldehyde;difluoromethanol
CID 172605306
N-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide
CID 107697615
2-[ethyl-[(5-fluoro-2-hydroxyphenyl)methyl]amino]-N,N-dimethylacetamide
CID 103947530
ethane;N-ethyl-N'-(4-fluoro-2-formylphenyl)-N-methylmethanimidamide
CID 176688125
2-[ethyl(propyl)amino]-5-fluorobenzaldehyde
CID 43312974
N-ethyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]-N-methylpropanamide
CID 103275902
2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorobenzaldehyde
CID 43312933
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylpropan-2-amine;5-fluoro-2-hydroxybenzaldehyde?
The IUPAC name of N-ethyl-N-methylpropan-2-amine;5-fluoro-2-hydroxybenzaldehyde (CID 176923353) is N-ethyl-N-methylpropan-2-amine;5-fluoro-2-hydroxybenzaldehyde.
What is the SMILES notation for N-ethyl-N-methylpropan-2-amine;5-fluoro-2-hydroxybenzaldehyde?
The canonical SMILES for N-ethyl-N-methylpropan-2-amine;5-fluoro-2-hydroxybenzaldehyde is CCN(C)C(C)C.O=Cc1cc(F)ccc1O.
What is the InChIKey of N-ethyl-N-methylpropan-2-amine;5-fluoro-2-hydroxybenzaldehyde?
The InChIKey is MCURLWRFYODTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FO2.C6H15N/c8-6-1-2-7(10)5(3-6)4-9;1-5-7(4)6(2)3/h1-4,10H;6H,5H2,1-4H3.
What are the key properties of N-ethyl-N-methylpropan-2-amine;5-fluoro-2-hydroxybenzaldehyde?
N-ethyl-N-methylpropan-2-amine;5-fluoro-2-hydroxybenzaldehyde has a molecular weight of 241.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylpropan-2-amine;5-fluoro-2-hydroxybenzaldehyde is sourced from PubChem (CID 176923353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).