1-[[1-(2-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol

C16H24FNO — CID 60710849

IUPAC1-[[1-(2-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol
SMILESCC(NCC1(O)CCCCCC1)c1ccccc1F
InChIInChI=1S/C16H24FNO/c1-13(14-8-4-5-9-15(14)17)18-12-16(19)10-6-2-3-7-11-16/h4-5,8-9,13,18-19H,2-3,6-7,10-12H2,1H3
InChIKeyMIPKEPHGZFNHKZ-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.56
Rot. Bonds4

About 1-[[1-(2-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol

1-[[1-(2-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol (PubChem CID 60710849) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-[[1-(2-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[1-(2-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol
PubChem CID60710849
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-[[1-(2-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol
SMILESCC(NCC1(O)CCCCCC1)c1ccccc1F
InChIInChI=1S/C16H24FNO/c1-13(14-8-4-5-9-15(14)17)18-12-16(19)10-6-2-3-7-11-16/h4-5,8-9,13,18-19H,2-3,6-7,10-12H2,1H3
InChIKeyMIPKEPHGZFNHKZ-UHFFFAOYSA-N
XLogP3.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[1-(2-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol (CID 60710849) is 1-[[1-(2-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[1-(2-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[1-(2-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol is CC(NCC1(O)CCCCCC1)c1ccccc1F.
What is the InChIKey of 1-[[1-(2-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol?
The InChIKey is MIPKEPHGZFNHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-13(14-8-4-5-9-15(14)17)18-12-16(19)10-6-2-3-7-11-16/h4-5,8-9,13,18-19H,2-3,6-7,10-12H2,1H3.
What are the key properties of 1-[[1-(2-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol?
1-[[1-(2-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol has a molecular weight of 265.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 60710849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).