4-fluoro-N-(2-heptoxyethyl)aniline

C15H24FNO — CID 63505615

IUPAC4-fluoro-N-(2-heptoxyethyl)aniline
SMILESCCCCCCCOCCNc1ccc(F)cc1
InChIInChI=1S/C15H24FNO/c1-2-3-4-5-6-12-18-13-11-17-15-9-7-14(16)8-10-15/h7-10,17H,2-6,11-13H2,1H3
InChIKeyITUHWFYDTCJGKN-UHFFFAOYSA-N
MW253.36 g/mol
LogP4.22
Rot. Bonds10

About 4-fluoro-N-(2-heptoxyethyl)aniline

4-fluoro-N-(2-heptoxyethyl)aniline (PubChem CID 63505615) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 4-fluoro-N-(2-heptoxyethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(2-heptoxyethyl)aniline
PubChem CID63505615
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name4-fluoro-N-(2-heptoxyethyl)aniline
SMILESCCCCCCCOCCNc1ccc(F)cc1
InChIInChI=1S/C15H24FNO/c1-2-3-4-5-6-12-18-13-11-17-15-9-7-14(16)8-10-15/h7-10,17H,2-6,11-13H2,1H3
InChIKeyITUHWFYDTCJGKN-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 61482924
4-methyl-N-(2-octoxyethyl)aniline
CID 55196858
4-methyl-N-(2-pentoxyethyl)aniline
CID 62584140
4-fluoro-N-heptylaniline
CID 43129312
N-(12-dodecoxydodecyl)aniline
CID 54486065
fluorobenzene;1-hexoxyhexane
CID 174664464
N-(2-butoxyethyl)-4-butylaniline
CID 63489745
N-[2-(2-butoxyethoxy)ethyl]aniline
CID 55093379
4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline
CID 54796471
3-chloro-N-(2-octoxyethyl)aniline
CID 63506591
4-fluoro-N-[2-(4-methylcyclohexyl)oxyethyl]aniline
CID 62566177
N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103294786

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-heptoxyethyl)aniline?
The IUPAC name of 4-fluoro-N-(2-heptoxyethyl)aniline (CID 63505615) is 4-fluoro-N-(2-heptoxyethyl)aniline.
What is the SMILES notation for 4-fluoro-N-(2-heptoxyethyl)aniline?
The canonical SMILES for 4-fluoro-N-(2-heptoxyethyl)aniline is CCCCCCCOCCNc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-heptoxyethyl)aniline?
The InChIKey is ITUHWFYDTCJGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-2-3-4-5-6-12-18-13-11-17-15-9-7-14(16)8-10-15/h7-10,17H,2-6,11-13H2,1H3.
What are the key properties of 4-fluoro-N-(2-heptoxyethyl)aniline?
4-fluoro-N-(2-heptoxyethyl)aniline has a molecular weight of 253.36 g/mol, XLogP of 4.22, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-heptoxyethyl)aniline is sourced from PubChem (CID 63505615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).