2-amino-5-fluoro-3,4-dimethylbenzaldehyde

C9H10FNO — CID 175130413

IUPAC2-amino-5-fluoro-3,4-dimethylbenzaldehyde
SMILESCc1c(F)cc(C=O)c(N)c1C
InChIInChI=1S/C9H10FNO/c1-5-6(2)9(11)7(4-12)3-8(5)10/h3-4H,11H2,1-2H3
InChIKeyGPUCVLVXMLXTBX-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.84
Rot. Bonds1

About 2-amino-5-fluoro-3,4-dimethylbenzaldehyde

2-amino-5-fluoro-3,4-dimethylbenzaldehyde (PubChem CID 175130413) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 2-amino-5-fluoro-3,4-dimethylbenzaldehyde.

Molecular Properties

Compound Name2-amino-5-fluoro-3,4-dimethylbenzaldehyde
PubChem CID175130413
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name2-amino-5-fluoro-3,4-dimethylbenzaldehyde
SMILESCc1c(F)cc(C=O)c(N)c1C
InChIInChI=1S/C9H10FNO/c1-5-6(2)9(11)7(4-12)3-8(5)10/h3-4H,11H2,1-2H3
InChIKeyGPUCVLVXMLXTBX-UHFFFAOYSA-N
XLogP1.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-5-fluoro-3,4-dimethylbenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-2,5-dimethylbenzaldehyde
CID 84763320
4,5,6-triaminobenzene-1,3-dicarbaldehyde
CID 2750253
(3,5-difluoro-2-formyl-4-methylphenyl)boronic acid
CID 155293780
3-amino-5-bromo-2,4-dimethylbenzaldehyde
CID 129108724
4,6-difluorobenzene-1,3-dicarbaldehyde
CID 11030259
3-amino-4-methoxy-2-methylbenzaldehyde
CID 150747577
2-amino-4-bromo-3-fluoro-5-methoxybenzaldehyde
CID 164904191
ethane;2-fluoro-5-methylbenzaldehyde
CID 144639073
N,N-dimethylmethanamine;2,4,5-trifluorobenzaldehyde
CID 143152028
2-(aminomethyl)-4-fluoro-5-methylbenzaldehyde
CID 117276479
2-amino-5-bromo-4-fluorobenzaldehyde;methanol
CID 164870207
4-fluoro-2-hydrazinyl-5-methylbenzaldehyde
CID 154560984

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-3,4-dimethylbenzaldehyde?
The IUPAC name of 2-amino-5-fluoro-3,4-dimethylbenzaldehyde (CID 175130413) is 2-amino-5-fluoro-3,4-dimethylbenzaldehyde.
What is the SMILES notation for 2-amino-5-fluoro-3,4-dimethylbenzaldehyde?
The canonical SMILES for 2-amino-5-fluoro-3,4-dimethylbenzaldehyde is Cc1c(F)cc(C=O)c(N)c1C.
What is the InChIKey of 2-amino-5-fluoro-3,4-dimethylbenzaldehyde?
The InChIKey is GPUCVLVXMLXTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-5-6(2)9(11)7(4-12)3-8(5)10/h3-4H,11H2,1-2H3.
What are the key properties of 2-amino-5-fluoro-3,4-dimethylbenzaldehyde?
2-amino-5-fluoro-3,4-dimethylbenzaldehyde has a molecular weight of 167.18 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-3,4-dimethylbenzaldehyde is sourced from PubChem (CID 175130413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).