1-(2-fluoro-4-heptoxyphenyl)ethanamine

C15H24FNO — CID 107715824

IUPAC1-(2-fluoro-4-heptoxyphenyl)ethanamine
SMILESCCCCCCCOc1ccc(C(C)N)c(F)c1
InChIInChI=1S/C15H24FNO/c1-3-4-5-6-7-10-18-13-8-9-14(12(2)17)15(16)11-13/h8-9,11-12H,3-7,10,17H2,1-2H3
InChIKeyWMQCPSHREWPGBV-UHFFFAOYSA-N
MW253.36 g/mol
LogP4.19
Rot. Bonds8

About 1-(2-fluoro-4-heptoxyphenyl)ethanamine

1-(2-fluoro-4-heptoxyphenyl)ethanamine (PubChem CID 107715824) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(2-fluoro-4-heptoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-heptoxyphenyl)ethanamine
PubChem CID107715824
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-(2-fluoro-4-heptoxyphenyl)ethanamine
SMILESCCCCCCCOc1ccc(C(C)N)c(F)c1
InChIInChI=1S/C15H24FNO/c1-3-4-5-6-7-10-18-13-8-9-14(12(2)17)15(16)11-13/h8-9,11-12H,3-7,10,17H2,1-2H3
InChIKeyWMQCPSHREWPGBV-UHFFFAOYSA-N
XLogP4.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 54.19
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

(1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine
CID 107718481
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
(1R,3S)-3-amino-1-(2-fluoro-4-octoxyphenyl)butane-1,4-diol
CID 165352076
4-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]butanenitrile
CID 107718107
(1R)-1-[4-(4,4-dimethylpentoxy)-2-fluorophenyl]ethanamine
CID 114209341
1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
CID 107716078
1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanamine
CID 107716293
1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 107715807
2-(4-decoxy-2-fluorophenyl)dodecan-5-ol
CID 173372389
(1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine
CID 107718394
(1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 107718203
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-heptoxyphenyl)ethanamine?
The IUPAC name of 1-(2-fluoro-4-heptoxyphenyl)ethanamine (CID 107715824) is 1-(2-fluoro-4-heptoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2-fluoro-4-heptoxyphenyl)ethanamine?
The canonical SMILES for 1-(2-fluoro-4-heptoxyphenyl)ethanamine is CCCCCCCOc1ccc(C(C)N)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-heptoxyphenyl)ethanamine?
The InChIKey is WMQCPSHREWPGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-3-4-5-6-7-10-18-13-8-9-14(12(2)17)15(16)11-13/h8-9,11-12H,3-7,10,17H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-heptoxyphenyl)ethanamine?
1-(2-fluoro-4-heptoxyphenyl)ethanamine has a molecular weight of 253.36 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-heptoxyphenyl)ethanamine is sourced from PubChem (CID 107715824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).