4-fluoro-2,6-dipropylaniline

C12H18FN — CID 137443416

IUPAC4-fluoro-2,6-dipropylaniline
SMILESCCCc1cc(F)cc(CCC)c1N
InChIInChI=1S/C12H18FN/c1-3-5-9-7-11(13)8-10(6-4-2)12(9)14/h7-8H,3-6,14H2,1-2H3
InChIKeyZRSBJKZSNAZKCT-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.31
Rot. Bonds4

About 4-fluoro-2,6-dipropylaniline

4-fluoro-2,6-dipropylaniline (PubChem CID 137443416) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 4-fluoro-2,6-dipropylaniline.

Molecular Properties

Compound Name4-fluoro-2,6-dipropylaniline
PubChem CID137443416
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name4-fluoro-2,6-dipropylaniline
SMILESCCCc1cc(F)cc(CCC)c1N
InChIInChI=1S/C12H18FN/c1-3-5-9-7-11(13)8-10(6-4-2)12(9)14/h7-8H,3-6,14H2,1-2H3
InChIKeyZRSBJKZSNAZKCT-UHFFFAOYSA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-fluoro-1,3-dipropylbenzene
CID 137443449
4-fluoro-2-propylaniline
CID 23348947
4-(4-amino-3,5-dipropylphenoxy)-2,6-dipropylaniline
CID 22061802
1,5-difluoro-2-methoxy-3-propylbenzene
CID 176962400
4-fluoro-1-iodo-2-propylbenzene
CID 126738396
2,6-difluoro-4-propylaniline
CID 19781718
5-fluoro-4-methoxy-2-propylaniline
CID 130537729
1,3-difluoro-5-propylbenzene;fluoromethane
CID 143588669
4-[10-(4-amino-3-methyl-5-propylphenyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecyl]-2-methyl-6-propylaniline
CID 172550407
4-[6-(4-amino-3-methoxy-5-propylphenyl)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexyl]-2-methoxy-6-propylaniline
CID 172550341
ethane;5-fluoro-2-propylphenol
CID 143012210
2-amino-3,6-dipropylphenol
CID 134347282

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dipropylaniline?
The IUPAC name of 4-fluoro-2,6-dipropylaniline (CID 137443416) is 4-fluoro-2,6-dipropylaniline.
What is the SMILES notation for 4-fluoro-2,6-dipropylaniline?
The canonical SMILES for 4-fluoro-2,6-dipropylaniline is CCCc1cc(F)cc(CCC)c1N.
What is the InChIKey of 4-fluoro-2,6-dipropylaniline?
The InChIKey is ZRSBJKZSNAZKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-3-5-9-7-11(13)8-10(6-4-2)12(9)14/h7-8H,3-6,14H2,1-2H3.
What are the key properties of 4-fluoro-2,6-dipropylaniline?
4-fluoro-2,6-dipropylaniline has a molecular weight of 195.28 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,6-dipropylaniline is sourced from PubChem (CID 137443416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).