4-fluoro-5-methoxy-2-(methylaminomethyl)benzaldehyde

C10H12FNO2 — CID 144870158

IUPAC4-fluoro-5-methoxy-2-(methylaminomethyl)benzaldehyde
SMILESCNCc1cc(F)c(OC)cc1C=O
InChIInChI=1S/C10H12FNO2/c1-12-5-7-3-9(11)10(14-2)4-8(7)6-13/h3-4,6,12H,5H2,1-2H3
InChIKeyWNOFXUJEUXDKKW-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.37
Rot. Bonds4

About 4-fluoro-5-methoxy-2-(methylaminomethyl)benzaldehyde

4-fluoro-5-methoxy-2-(methylaminomethyl)benzaldehyde (PubChem CID 144870158) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-2-(methylaminomethyl)benzaldehyde.

Molecular Properties

Compound Name4-fluoro-5-methoxy-2-(methylaminomethyl)benzaldehyde
PubChem CID144870158
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name4-fluoro-5-methoxy-2-(methylaminomethyl)benzaldehyde
SMILESCNCc1cc(F)c(OC)cc1C=O
InChIInChI=1S/C10H12FNO2/c1-12-5-7-3-9(11)10(14-2)4-8(7)6-13/h3-4,6,12H,5H2,1-2H3
InChIKeyWNOFXUJEUXDKKW-UHFFFAOYSA-N
XLogP1.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.37
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-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
4-fluoro-2-[(methoxyamino)methyl]-5-methylbenzaldehyde
CID 117286732
4-fluoro-2-iodo-5-methoxybenzaldehyde
CID 171016936
N-[(5-fluoro-2,4-dimethoxyphenyl)methyl]formamide
CID 171538109
2-(2-bromoacetyl)-4-fluoro-5-methoxybenzaldehyde
CID 171009532
4-hydroxy-2-[(hydroxyamino)methyl]-5-methoxybenzaldehyde
CID 117286677
3-(2,5-difluoro-4-methoxyphenyl)propanal
CID 73014070
5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde
CID 131331528
4,5-dimethoxy-2-(2-oxoethyl)benzaldehyde
CID 134869051
1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 84671954
4-(fluoromethyl)-2,5-dimethoxybenzaldehyde
CID 84668094
5-methyl-2-(methylaminomethyl)benzaldehyde
CID 142196530

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-2-(methylaminomethyl)benzaldehyde?
The IUPAC name of 4-fluoro-5-methoxy-2-(methylaminomethyl)benzaldehyde (CID 144870158) is 4-fluoro-5-methoxy-2-(methylaminomethyl)benzaldehyde.
What is the SMILES notation for 4-fluoro-5-methoxy-2-(methylaminomethyl)benzaldehyde?
The canonical SMILES for 4-fluoro-5-methoxy-2-(methylaminomethyl)benzaldehyde is CNCc1cc(F)c(OC)cc1C=O.
What is the InChIKey of 4-fluoro-5-methoxy-2-(methylaminomethyl)benzaldehyde?
The InChIKey is WNOFXUJEUXDKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-12-5-7-3-9(11)10(14-2)4-8(7)6-13/h3-4,6,12H,5H2,1-2H3.
What are the key properties of 4-fluoro-5-methoxy-2-(methylaminomethyl)benzaldehyde?
4-fluoro-5-methoxy-2-(methylaminomethyl)benzaldehyde has a molecular weight of 197.21 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-2-(methylaminomethyl)benzaldehyde is sourced from PubChem (CID 144870158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).