3-[(dimethylamino)methyl]-5-fluoro-2-hydroxybenzaldehyde

C10H12FNO2 — CID 83484910

IUPAC3-[(dimethylamino)methyl]-5-fluoro-2-hydroxybenzaldehyde
SMILESCN(C)Cc1cc(F)cc(C=O)c1O
InChIInChI=1S/C10H12FNO2/c1-12(2)5-7-3-9(11)4-8(6-13)10(7)14/h3-4,6,14H,5H2,1-2H3
InChIKeyNPUGYSDPUILXEO-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.41
Rot. Bonds3

About 3-[(dimethylamino)methyl]-5-fluoro-2-hydroxybenzaldehyde

3-[(dimethylamino)methyl]-5-fluoro-2-hydroxybenzaldehyde (PubChem CID 83484910) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-5-fluoro-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-5-fluoro-2-hydroxybenzaldehyde
PubChem CID83484910
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name3-[(dimethylamino)methyl]-5-fluoro-2-hydroxybenzaldehyde
SMILESCN(C)Cc1cc(F)cc(C=O)c1O
InChIInChI=1S/C10H12FNO2/c1-12(2)5-7-3-9(11)4-8(6-13)10(7)14/h3-4,6,14H,5H2,1-2H3
InChIKeyNPUGYSDPUILXEO-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(aminooxymethyl)-6-[(dimethylamino)methyl]-4-fluorophenol
CID 117305510
3-[3-[(dimethylamino)methyl]-5-fluoro-2-hydroxyphenyl]-1,2-oxazole-5-carboxylic acid
CID 136930965
2-[(dimethylamino)methyl]-4-fluoro-6-(1-hydroxycyclopropyl)phenol
CID 117323632
2-(2-aminooxyethyl)-6-[(dimethylamino)methyl]-4-fluorophenol
CID 117328956
5-fluoro-3-formyl-2-hydroxybenzonitrile
CID 130063153
2-[(dimethylamino)methyl]-4-fluorobenzoic acid
CID 107907408
3,5-difluoro-2-hydroxybenzaldehyde;2,4-difluorophenol
CID 159523746
2,4,6-tris[(dimethylamino)methyl]phenol
CID 7026
3,5-difluoro-2,4-dihydroxybenzaldehyde
CID 18942327
2-[3-[(dimethylamino)methyl]-2-hydroxy-5-methylphenyl]acetic acid
CID 82392010
5-acetyl-3-fluoro-2-hydroxybenzaldehyde
CID 170687896
2-[1-(aminomethyl)cyclopentyl]-6-[(dimethylamino)methyl]-4-fluorophenol
CID 117420244

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-5-fluoro-2-hydroxybenzaldehyde?
The IUPAC name of 3-[(dimethylamino)methyl]-5-fluoro-2-hydroxybenzaldehyde (CID 83484910) is 3-[(dimethylamino)methyl]-5-fluoro-2-hydroxybenzaldehyde.
What is the SMILES notation for 3-[(dimethylamino)methyl]-5-fluoro-2-hydroxybenzaldehyde?
The canonical SMILES for 3-[(dimethylamino)methyl]-5-fluoro-2-hydroxybenzaldehyde is CN(C)Cc1cc(F)cc(C=O)c1O.
What is the InChIKey of 3-[(dimethylamino)methyl]-5-fluoro-2-hydroxybenzaldehyde?
The InChIKey is NPUGYSDPUILXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-12(2)5-7-3-9(11)4-8(6-13)10(7)14/h3-4,6,14H,5H2,1-2H3.
What are the key properties of 3-[(dimethylamino)methyl]-5-fluoro-2-hydroxybenzaldehyde?
3-[(dimethylamino)methyl]-5-fluoro-2-hydroxybenzaldehyde has a molecular weight of 197.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-5-fluoro-2-hydroxybenzaldehyde is sourced from PubChem (CID 83484910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).