N-decyl-3-fluoro-4-methoxyaniline

C17H28FNO — CID 63489598

IUPACN-decyl-3-fluoro-4-methoxyaniline
SMILESCCCCCCCCCCNc1ccc(OC)c(F)c1
InChIInChI=1S/C17H28FNO/c1-3-4-5-6-7-8-9-10-13-19-15-11-12-17(20-2)16(18)14-15/h11-12,14,19H,3-10,13H2,1-2H3
InChIKeyKKSJILAILPPNJT-UHFFFAOYSA-N
MW281.42 g/mol
LogP5.39
Rot. Bonds11

About N-decyl-3-fluoro-4-methoxyaniline

N-decyl-3-fluoro-4-methoxyaniline (PubChem CID 63489598) has the molecular formula C17H28FNO and a molecular weight of 281.42 g/mol. Its IUPAC name is N-decyl-3-fluoro-4-methoxyaniline.

Molecular Properties

Compound NameN-decyl-3-fluoro-4-methoxyaniline
PubChem CID63489598
Molecular FormulaC17H28FNO
Molecular Weight281.42 g/mol
Exact Mass281.22
IUPAC NameN-decyl-3-fluoro-4-methoxyaniline
SMILESCCCCCCCCCCNc1ccc(OC)c(F)c1
InChIInChI=1S/C17H28FNO/c1-3-4-5-6-7-8-9-10-13-19-15-11-12-17(20-2)16(18)14-15/h11-12,14,19H,3-10,13H2,1-2H3
InChIKeyKKSJILAILPPNJT-UHFFFAOYSA-N
XLogP5.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.42
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethoxy)-3-fluoro-N-octylaniline
CID 63449455
3-chloro-N-heptyl-4-methoxyaniline
CID 43129175
N-decyl-3-fluoro-4-methylaniline
CID 63488478
4-ethoxy-3-methoxy-N-pentylaniline
CID 43229052
N-[5-(3-fluoro-4-methoxyanilino)pentyl]-2-methylpropane-2-sulfonamide
CID 59231544
3-fluoro-4-methoxy-N-undecan-6-ylaniline
CID 43775903
3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline
CID 43380738
methyl 4-(3-fluoro-4-methoxyanilino)butanoate
CID 43380727
2-methoxy-5-(pentylamino)benzenesulfonamide
CID 143880253
2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide
CID 43380763
N-heptyl-3,4-dimethylaniline
CID 43129292
N'-(3-chloro-4-methoxyphenyl)-N-heptylethane-1,2-diamine
CID 54806879

Frequently Asked Questions

What is the IUPAC name of N-decyl-3-fluoro-4-methoxyaniline?
The IUPAC name of N-decyl-3-fluoro-4-methoxyaniline (CID 63489598) is N-decyl-3-fluoro-4-methoxyaniline.
What is the SMILES notation for N-decyl-3-fluoro-4-methoxyaniline?
The canonical SMILES for N-decyl-3-fluoro-4-methoxyaniline is CCCCCCCCCCNc1ccc(OC)c(F)c1.
What is the InChIKey of N-decyl-3-fluoro-4-methoxyaniline?
The InChIKey is KKSJILAILPPNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-3-4-5-6-7-8-9-10-13-19-15-11-12-17(20-2)16(18)14-15/h11-12,14,19H,3-10,13H2,1-2H3.
What are the key properties of N-decyl-3-fluoro-4-methoxyaniline?
N-decyl-3-fluoro-4-methoxyaniline has a molecular weight of 281.42 g/mol, XLogP of 5.39, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-3-fluoro-4-methoxyaniline is sourced from PubChem (CID 63489598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).