4-fluoro-N-heptyl-2-methylaniline

C14H22FN — CID 43129346

IUPAC4-fluoro-N-heptyl-2-methylaniline
SMILESCCCCCCCNc1ccc(F)cc1C
InChIInChI=1S/C14H22FN/c1-3-4-5-6-7-10-16-14-9-8-13(15)11-12(14)2/h8-9,11,16H,3-7,10H2,1-2H3
InChIKeyCQFMGGVRKOWADJ-UHFFFAOYSA-N
MW223.34 g/mol
LogP4.52
Rot. Bonds7

About 4-fluoro-N-heptyl-2-methylaniline

4-fluoro-N-heptyl-2-methylaniline (PubChem CID 43129346) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-fluoro-N-heptyl-2-methylaniline.

Molecular Properties

Compound Name4-fluoro-N-heptyl-2-methylaniline
PubChem CID43129346
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name4-fluoro-N-heptyl-2-methylaniline
SMILESCCCCCCCNc1ccc(F)cc1C
InChIInChI=1S/C14H22FN/c1-3-4-5-6-7-10-16-14-9-8-13(15)11-12(14)2/h8-9,11,16H,3-7,10H2,1-2H3
InChIKeyCQFMGGVRKOWADJ-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-dodecyl-4-fluoro-2-methylaniline
CID 63489528
4-fluoro-N-hexyl-2-methylaniline
CID 28877875
2,4-difluoro-N-nonylaniline
CID 43129325
2,5-difluoro-N-hexylaniline
CID 28877091
4-bromo-N-heptyl-2-methylaniline
CID 43129195
4-methoxy-2-methyl-N-nonylaniline
CID 63492120
N-(3,3-dimethylbutyl)-4-fluoro-2-methylaniline
CID 60679968
5-bromo-4-fluoro-2-methyl-N-nonylaniline
CID 107591959
methyl 5-fluoro-2-(octylamino)benzoate
CID 43735445
N-butyl-2-(4-fluoro-2-methylanilino)acetamide
CID 60672489
4-fluoro-N-heptylaniline
CID 43129312
4-(heptylamino)-3-methylbenzamide
CID 43706885

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-heptyl-2-methylaniline?
The IUPAC name of 4-fluoro-N-heptyl-2-methylaniline (CID 43129346) is 4-fluoro-N-heptyl-2-methylaniline.
What is the SMILES notation for 4-fluoro-N-heptyl-2-methylaniline?
The canonical SMILES for 4-fluoro-N-heptyl-2-methylaniline is CCCCCCCNc1ccc(F)cc1C.
What is the InChIKey of 4-fluoro-N-heptyl-2-methylaniline?
The InChIKey is CQFMGGVRKOWADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-3-4-5-6-7-10-16-14-9-8-13(15)11-12(14)2/h8-9,11,16H,3-7,10H2,1-2H3.
What are the key properties of 4-fluoro-N-heptyl-2-methylaniline?
4-fluoro-N-heptyl-2-methylaniline has a molecular weight of 223.34 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-heptyl-2-methylaniline is sourced from PubChem (CID 43129346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).