N-dodecyl-4-fluoro-2-methylaniline

C19H32FN — CID 63489528

IUPACN-dodecyl-4-fluoro-2-methylaniline
SMILESCCCCCCCCCCCCNc1ccc(F)cc1C
InChIInChI=1S/C19H32FN/c1-3-4-5-6-7-8-9-10-11-12-15-21-19-14-13-18(20)16-17(19)2/h13-14,16,21H,3-12,15H2,1-2H3
InChIKeyUVMCCPUQFUDIKL-UHFFFAOYSA-N
MW293.47 g/mol
LogP6.47
Rot. Bonds12

About N-dodecyl-4-fluoro-2-methylaniline

N-dodecyl-4-fluoro-2-methylaniline (PubChem CID 63489528) has the molecular formula C19H32FN and a molecular weight of 293.47 g/mol. Its IUPAC name is N-dodecyl-4-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-dodecyl-4-fluoro-2-methylaniline
PubChem CID63489528
Molecular FormulaC19H32FN
Molecular Weight293.47 g/mol
Exact Mass293.25
IUPAC NameN-dodecyl-4-fluoro-2-methylaniline
SMILESCCCCCCCCCCCCNc1ccc(F)cc1C
InChIInChI=1S/C19H32FN/c1-3-4-5-6-7-8-9-10-11-12-15-21-19-14-13-18(20)16-17(19)2/h13-14,16,21H,3-12,15H2,1-2H3
InChIKeyUVMCCPUQFUDIKL-UHFFFAOYSA-N
XLogP6.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.47
LogP ≤ 56.47
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

4-fluoro-N-heptyl-2-methylaniline
CID 43129346
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 N-dodecyl-4-fluoro-2-methylaniline?
The IUPAC name of N-dodecyl-4-fluoro-2-methylaniline (CID 63489528) is N-dodecyl-4-fluoro-2-methylaniline.
What is the SMILES notation for N-dodecyl-4-fluoro-2-methylaniline?
The canonical SMILES for N-dodecyl-4-fluoro-2-methylaniline is CCCCCCCCCCCCNc1ccc(F)cc1C.
What is the InChIKey of N-dodecyl-4-fluoro-2-methylaniline?
The InChIKey is UVMCCPUQFUDIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN/c1-3-4-5-6-7-8-9-10-11-12-15-21-19-14-13-18(20)16-17(19)2/h13-14,16,21H,3-12,15H2,1-2H3.
What are the key properties of N-dodecyl-4-fluoro-2-methylaniline?
N-dodecyl-4-fluoro-2-methylaniline has a molecular weight of 293.47 g/mol, XLogP of 6.47, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-4-fluoro-2-methylaniline is sourced from PubChem (CID 63489528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).