2-cycloheptyloxy-1-(2-fluorophenyl)ethanamine

C15H22FNO — CID 114058365

IUPAC2-cycloheptyloxy-1-(2-fluorophenyl)ethanamine
SMILESNC(COC1CCCCCC1)c1ccccc1F
InChIInChI=1S/C15H22FNO/c16-14-10-6-5-9-13(14)15(17)11-18-12-7-3-1-2-4-8-12/h5-6,9-10,12,15H,1-4,7-8,11,17H2
InChIKeyWHGKOUZNNWUXDV-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.56
Rot. Bonds4

About 2-cycloheptyloxy-1-(2-fluorophenyl)ethanamine

2-cycloheptyloxy-1-(2-fluorophenyl)ethanamine (PubChem CID 114058365) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-cycloheptyloxy-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyloxy-1-(2-fluorophenyl)ethanamine
PubChem CID114058365
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-cycloheptyloxy-1-(2-fluorophenyl)ethanamine
SMILESNC(COC1CCCCCC1)c1ccccc1F
InChIInChI=1S/C15H22FNO/c16-14-10-6-5-9-13(14)15(17)11-18-12-7-3-1-2-4-8-12/h5-6,9-10,12,15H,1-4,7-8,11,17H2
InChIKeyWHGKOUZNNWUXDV-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyloxy-1-(2,3-difluorophenyl)ethanamine
CID 114058345
2-cyclohexyloxy-1-(2,5-difluorophenyl)ethanamine
CID 16793773
2-cyclohexyloxy-2-(2-fluorophenyl)ethanamine
CID 55018547
N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 16786425
1-cyclopentyloxy-1-(2-fluorophenyl)butan-2-amine
CID 55018597
2-(oxan-4-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 107523475
1-(2-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 45283434
2-cyclopentyloxy-1-(2,4-dimethylphenyl)ethanamine
CID 16787189
2-cyclopentyloxy-1-(4-methylphenyl)ethanamine
CID 16787694
2-(cyclohexylmethoxy)-1-(2,5-difluorophenyl)ethanamine
CID 107523541
2-(oxetan-3-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 107524036
1-(cyclohexylmethoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62383305

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyloxy-1-(2-fluorophenyl)ethanamine?
The IUPAC name of 2-cycloheptyloxy-1-(2-fluorophenyl)ethanamine (CID 114058365) is 2-cycloheptyloxy-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 2-cycloheptyloxy-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for 2-cycloheptyloxy-1-(2-fluorophenyl)ethanamine is NC(COC1CCCCCC1)c1ccccc1F.
What is the InChIKey of 2-cycloheptyloxy-1-(2-fluorophenyl)ethanamine?
The InChIKey is WHGKOUZNNWUXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c16-14-10-6-5-9-13(14)15(17)11-18-12-7-3-1-2-4-8-12/h5-6,9-10,12,15H,1-4,7-8,11,17H2.
What are the key properties of 2-cycloheptyloxy-1-(2-fluorophenyl)ethanamine?
2-cycloheptyloxy-1-(2-fluorophenyl)ethanamine has a molecular weight of 251.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyloxy-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 114058365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).