N-decyl-3-fluoro-4-methylaniline

C17H28FN — CID 63488478

IUPACN-decyl-3-fluoro-4-methylaniline
SMILESCCCCCCCCCCNc1ccc(C)c(F)c1
InChIInChI=1S/C17H28FN/c1-3-4-5-6-7-8-9-10-13-19-16-12-11-15(2)17(18)14-16/h11-12,14,19H,3-10,13H2,1-2H3
InChIKeyXWGDXYVSLQZUOC-UHFFFAOYSA-N
MW265.42 g/mol
LogP5.69
Rot. Bonds10

About N-decyl-3-fluoro-4-methylaniline

N-decyl-3-fluoro-4-methylaniline (PubChem CID 63488478) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is N-decyl-3-fluoro-4-methylaniline.

Molecular Properties

Compound NameN-decyl-3-fluoro-4-methylaniline
PubChem CID63488478
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC NameN-decyl-3-fluoro-4-methylaniline
SMILESCCCCCCCCCCNc1ccc(C)c(F)c1
InChIInChI=1S/C17H28FN/c1-3-4-5-6-7-8-9-10-13-19-16-12-11-15(2)17(18)14-16/h11-12,14,19H,3-10,13H2,1-2H3
InChIKeyXWGDXYVSLQZUOC-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.42
LogP ≤ 55.69
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'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 59230672
N-heptyl-3,4-dimethylaniline
CID 43129292
3-iodo-4-methyl-N-octylaniline
CID 43716130
3-chloro-N-dodecyl-4-methylaniline
CID 63487569
3-bromo-N-dodecyl-4-fluoroaniline
CID 104777613
N-decyl-3-fluoro-4-methoxyaniline
CID 63489598
4-bromo-N-hexyl-3-methylaniline
CID 28877172
3-chloro-N-decyl-4-fluoroaniline
CID 83108687
2-fluoro-4-(hexylamino)benzoic acid
CID 115485484
4-methyl-N-octylaniline
CID 11816856
4-fluoro-N-heptylaniline
CID 43129312
2-fluoro-1,4-dimethylbenzene;bis(nonane)
CID 143987706

Frequently Asked Questions

What is the IUPAC name of N-decyl-3-fluoro-4-methylaniline?
The IUPAC name of N-decyl-3-fluoro-4-methylaniline (CID 63488478) is N-decyl-3-fluoro-4-methylaniline.
What is the SMILES notation for N-decyl-3-fluoro-4-methylaniline?
The canonical SMILES for N-decyl-3-fluoro-4-methylaniline is CCCCCCCCCCNc1ccc(C)c(F)c1.
What is the InChIKey of N-decyl-3-fluoro-4-methylaniline?
The InChIKey is XWGDXYVSLQZUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-3-4-5-6-7-8-9-10-13-19-16-12-11-15(2)17(18)14-16/h11-12,14,19H,3-10,13H2,1-2H3.
What are the key properties of N-decyl-3-fluoro-4-methylaniline?
N-decyl-3-fluoro-4-methylaniline has a molecular weight of 265.42 g/mol, XLogP of 5.69, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-3-fluoro-4-methylaniline is sourced from PubChem (CID 63488478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).