2-(aminomethyl)-4-fluoro-5-methylbenzaldehyde

C9H10FNO — CID 117276479

IUPAC2-(aminomethyl)-4-fluoro-5-methylbenzaldehyde
SMILESCc1cc(C=O)c(CN)cc1F
InChIInChI=1S/C9H10FNO/c1-6-2-8(5-12)7(4-11)3-9(6)10/h2-3,5H,4,11H2,1H3
InChIKeyYROIWWZPSXODNE-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.41
Rot. Bonds2

About 2-(aminomethyl)-4-fluoro-5-methylbenzaldehyde

2-(aminomethyl)-4-fluoro-5-methylbenzaldehyde (PubChem CID 117276479) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 2-(aminomethyl)-4-fluoro-5-methylbenzaldehyde.

Molecular Properties

Compound Name2-(aminomethyl)-4-fluoro-5-methylbenzaldehyde
PubChem CID117276479
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name2-(aminomethyl)-4-fluoro-5-methylbenzaldehyde
SMILESCc1cc(C=O)c(CN)cc1F
InChIInChI=1S/C9H10FNO/c1-6-2-8(5-12)7(4-11)3-9(6)10/h2-3,5H,4,11H2,1H3
InChIKeyYROIWWZPSXODNE-UHFFFAOYSA-N
XLogP1.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-4,5-difluorobenzaldehyde
CID 117276821
4-fluoro-2-[(methoxyamino)methyl]-5-methylbenzaldehyde
CID 117286732
4-fluoro-2-hydrazinyl-5-methylbenzaldehyde
CID 154560984
5-fluoro-2-(isocyanatomethyl)-4-methylbenzaldehyde
CID 117283363
ethyl 5-fluoro-2-formyl-4-methylbenzoate
CID 164891826
4-fluoro-2-methoxy-5-methylbenzaldehyde
CID 54566251
2-(aminomethyl)-4,5-bis(trifluoromethyl)benzaldehyde
CID 118846578
6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118820061
1-bromo-2,5-difluoro-4-methylbenzene;2,5-difluoro-4-methylbenzaldehyde
CID 160964271
2-(1-aminopropan-2-yl)-4,5-difluorobenzaldehyde
CID 117288299
3-(5-fluoro-2-hydroxy-4-methylphenyl)propanal
CID 117279085
2-[(E)-3-aminoprop-1-enyl]-4,5-dimethylbenzaldehyde
CID 117281497

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-fluoro-5-methylbenzaldehyde?
The IUPAC name of 2-(aminomethyl)-4-fluoro-5-methylbenzaldehyde (CID 117276479) is 2-(aminomethyl)-4-fluoro-5-methylbenzaldehyde.
What is the SMILES notation for 2-(aminomethyl)-4-fluoro-5-methylbenzaldehyde?
The canonical SMILES for 2-(aminomethyl)-4-fluoro-5-methylbenzaldehyde is Cc1cc(C=O)c(CN)cc1F.
What is the InChIKey of 2-(aminomethyl)-4-fluoro-5-methylbenzaldehyde?
The InChIKey is YROIWWZPSXODNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-6-2-8(5-12)7(4-11)3-9(6)10/h2-3,5H,4,11H2,1H3.
What are the key properties of 2-(aminomethyl)-4-fluoro-5-methylbenzaldehyde?
2-(aminomethyl)-4-fluoro-5-methylbenzaldehyde has a molecular weight of 167.18 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-fluoro-5-methylbenzaldehyde is sourced from PubChem (CID 117276479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).