2-fluoro-6-(N,3,5-trimethylanilino)benzaldehyde

C16H16FNO — CID 114065123

IUPAC2-fluoro-6-(N,3,5-trimethylanilino)benzaldehyde
SMILESCc1cc(C)cc(N(C)c2cccc(F)c2C=O)c1
InChIInChI=1S/C16H16FNO/c1-11-7-12(2)9-13(8-11)18(3)16-6-4-5-15(17)14(16)10-19/h4-10H,1-3H3
InChIKeyZTYZPZQFIDQEAX-UHFFFAOYSA-N
MW257.31 g/mol
LogP4.02
Rot. Bonds3

About 2-fluoro-6-(N,3,5-trimethylanilino)benzaldehyde

2-fluoro-6-(N,3,5-trimethylanilino)benzaldehyde (PubChem CID 114065123) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-fluoro-6-(N,3,5-trimethylanilino)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-(N,3,5-trimethylanilino)benzaldehyde
PubChem CID114065123
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name2-fluoro-6-(N,3,5-trimethylanilino)benzaldehyde
SMILESCc1cc(C)cc(N(C)c2cccc(F)c2C=O)c1
InChIInChI=1S/C16H16FNO/c1-11-7-12(2)9-13(8-11)18(3)16-6-4-5-15(17)14(16)10-19/h4-10H,1-3H3
InChIKeyZTYZPZQFIDQEAX-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-6-(N,3,5-trimethylanilino)benzaldehyde 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

1-N-(3,5-dimethylphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 62002994
2-fluoro-6-(N,3,5-trimethylanilino)benzonitrile
CID 79513658
3-N-(3,5-dimethylphenyl)-3-N,2-dimethylbenzene-1,3-diamine
CID 55146231
2-fluoro-6-methylbenzaldehyde;methyl formate
CID 163291758
1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanone
CID 63532043
3-N-(3,5-dimethylphenyl)-3-N-methyl-2-nitrobenzene-1,3-diamine
CID 80817426
3-fluoro-2-(N,2,4-trimethylanilino)benzaldehyde
CID 114067095
2-(2-chloro-5-methylphenoxy)-6-fluorobenzaldehyde
CID 114065194
(1S)-1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanol
CID 78940866
2,3-difluoro-4-(N,3,5-trimethylanilino)benzenecarbothioamide
CID 107934870
N-(3,5-dimethylphenyl)-N-phenylformamide
CID 87250258
3-fluoro-N-methyl-2-nitro-N-phenylaniline
CID 62663622

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(N,3,5-trimethylanilino)benzaldehyde?
The IUPAC name of 2-fluoro-6-(N,3,5-trimethylanilino)benzaldehyde (CID 114065123) is 2-fluoro-6-(N,3,5-trimethylanilino)benzaldehyde.
What is the SMILES notation for 2-fluoro-6-(N,3,5-trimethylanilino)benzaldehyde?
The canonical SMILES for 2-fluoro-6-(N,3,5-trimethylanilino)benzaldehyde is Cc1cc(C)cc(N(C)c2cccc(F)c2C=O)c1.
What is the InChIKey of 2-fluoro-6-(N,3,5-trimethylanilino)benzaldehyde?
The InChIKey is ZTYZPZQFIDQEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-11-7-12(2)9-13(8-11)18(3)16-6-4-5-15(17)14(16)10-19/h4-10H,1-3H3.
What are the key properties of 2-fluoro-6-(N,3,5-trimethylanilino)benzaldehyde?
2-fluoro-6-(N,3,5-trimethylanilino)benzaldehyde has a molecular weight of 257.31 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(N,3,5-trimethylanilino)benzaldehyde is sourced from PubChem (CID 114065123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).