1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine

C16H24FNO — CID 65398856

IUPAC1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)C2CCCCCC2)cc1F
InChIInChI=1S/C16H24FNO/c1-19-16-9-8-12(10-14(16)17)11-15(18)13-6-4-2-3-5-7-13/h8-10,13,15H,2-7,11,18H2,1H3
InChIKeyIUVKZLAPPYEHKT-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.67
Rot. Bonds4

About 1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine

1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 65398856) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID65398856
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)C2CCCCCC2)cc1F
InChIInChI=1S/C16H24FNO/c1-19-16-9-8-12(10-14(16)17)11-15(18)13-6-4-2-3-5-7-13/h8-10,13,15H,2-7,11,18H2,1H3
InChIKeyIUVKZLAPPYEHKT-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine
CID 60865346
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65399384
[1-cyclooctyl-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105255092
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829604
1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 103168395
[1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine
CID 105292967
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine
CID 64986507
2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine
CID 114012687
4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 115829847
(1R)-1-cyclobutyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine
CID 125466518
1-(2,3-dihydro-1H-inden-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65405905
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 80603088

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine (CID 65398856) is 1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine is COc1ccc(CC(N)C2CCCCCC2)cc1F.
What is the InChIKey of 1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is IUVKZLAPPYEHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-19-16-9-8-12(10-14(16)17)11-15(18)13-6-4-2-3-5-7-13/h8-10,13,15H,2-7,11,18H2,1H3.
What are the key properties of 1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine?
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 265.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 65398856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).