2,3,4-trifluoro-N-(4-methoxybutyl)aniline

C11H14F3NO — CID 115735659

IUPAC2,3,4-trifluoro-N-(4-methoxybutyl)aniline
SMILESCOCCCCNc1ccc(F)c(F)c1F
InChIInChI=1S/C11H14F3NO/c1-16-7-3-2-6-15-9-5-4-8(12)10(13)11(9)14/h4-5,15H,2-3,6-7H2,1H3
InChIKeyJGCPQTARUMDOQX-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.94
Rot. Bonds6

About 2,3,4-trifluoro-N-(4-methoxybutyl)aniline

2,3,4-trifluoro-N-(4-methoxybutyl)aniline (PubChem CID 115735659) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(4-methoxybutyl)aniline.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(4-methoxybutyl)aniline
PubChem CID115735659
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2,3,4-trifluoro-N-(4-methoxybutyl)aniline
SMILESCOCCCCNc1ccc(F)c(F)c1F
InChIInChI=1S/C11H14F3NO/c1-16-7-3-2-6-15-9-5-4-8(12)10(13)11(9)14/h4-5,15H,2-3,6-7H2,1H3
InChIKeyJGCPQTARUMDOQX-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-4-(4-methoxybutylamino)benzoic acid
CID 79837707
5-chloro-2-fluoro-N-(4-methoxybutyl)aniline
CID 115735656
2,4-difluoro-N-(4-methoxybutyl)aniline
CID 115776867
methyl 6-(2,3,4-trifluoroanilino)hexanoate
CID 82538898
3-bromo-4-fluoro-N-(4-methoxybutyl)aniline
CID 115776909
3-fluoro-4-(4-methoxybutylamino)benzoic acid
CID 62710161
3-(2,3,4-trifluoroanilino)propan-1-ol
CID 19609283
2,3-difluoro-4-[4-(2-methoxyethoxy)butylamino]benzenecarbothioamide
CID 107935247
4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 58355547
N-(4-methoxybutyl)aniline
CID 13042774
2-(3-methoxypropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 109167315
2-bromo-N-(4-methoxybutyl)aniline
CID 115735649

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(4-methoxybutyl)aniline?
The IUPAC name of 2,3,4-trifluoro-N-(4-methoxybutyl)aniline (CID 115735659) is 2,3,4-trifluoro-N-(4-methoxybutyl)aniline.
What is the SMILES notation for 2,3,4-trifluoro-N-(4-methoxybutyl)aniline?
The canonical SMILES for 2,3,4-trifluoro-N-(4-methoxybutyl)aniline is COCCCCNc1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(4-methoxybutyl)aniline?
The InChIKey is JGCPQTARUMDOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-16-7-3-2-6-15-9-5-4-8(12)10(13)11(9)14/h4-5,15H,2-3,6-7H2,1H3.
What are the key properties of 2,3,4-trifluoro-N-(4-methoxybutyl)aniline?
2,3,4-trifluoro-N-(4-methoxybutyl)aniline has a molecular weight of 233.23 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(4-methoxybutyl)aniline is sourced from PubChem (CID 115735659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).