3-[4-(3-fluorooxetan-3-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine

C27H30FNO — CID 68739243

IUPAC3-[4-(3-fluorooxetan-3-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine
SMILESFC1(c2ccc(C3CCCC(NCCc4cccc5ccccc45)C3)cc2)COC1
InChIInChI=1S/C27H30FNO/c28-27(18-30-19-27)24-13-11-20(12-14-24)23-8-4-9-25(17-23)29-16-15-22-7-3-6-21-5-1-2-10-26(21)22/h1-3,5-7,10-14,23,25,29H,4,8-9,15-19H2
InChIKeyLFOIXQOVZYZPPN-UHFFFAOYSA-N
MW403.54 g/mol
LogP5.89
Rot. Bonds6

About 3-[4-(3-fluorooxetan-3-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine

3-[4-(3-fluorooxetan-3-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine (PubChem CID 68739243) has the molecular formula C27H30FNO and a molecular weight of 403.54 g/mol. Its IUPAC name is 3-[4-(3-fluorooxetan-3-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-[4-(3-fluorooxetan-3-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine
PubChem CID68739243
Molecular FormulaC27H30FNO
Molecular Weight403.54 g/mol
Exact Mass403.23
IUPAC Name3-[4-(3-fluorooxetan-3-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine
SMILESFC1(c2ccc(C3CCCC(NCCc4cccc5ccccc45)C3)cc2)COC1
InChIInChI=1S/C27H30FNO/c28-27(18-30-19-27)24-13-11-20(12-14-24)23-8-4-9-25(17-23)29-16-15-22-7-3-6-21-5-1-2-10-26(21)22/h1-3,5-7,10-14,23,25,29H,4,8-9,15-19H2
InChIKeyLFOIXQOVZYZPPN-UHFFFAOYSA-N
XLogP5.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.54
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorooxetan-3-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine?
The IUPAC name of 3-[4-(3-fluorooxetan-3-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine (CID 68739243) is 3-[4-(3-fluorooxetan-3-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-[4-(3-fluorooxetan-3-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 3-[4-(3-fluorooxetan-3-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine is FC1(c2ccc(C3CCCC(NCCc4cccc5ccccc45)C3)cc2)COC1.
What is the InChIKey of 3-[4-(3-fluorooxetan-3-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine?
The InChIKey is LFOIXQOVZYZPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FNO/c28-27(18-30-19-27)24-13-11-20(12-14-24)23-8-4-9-25(17-23)29-16-15-22-7-3-6-21-5-1-2-10-26(21)22/h1-3,5-7,10-14,23,25,29H,4,8-9,15-19H2.
What are the key properties of 3-[4-(3-fluorooxetan-3-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine?
3-[4-(3-fluorooxetan-3-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine has a molecular weight of 403.54 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorooxetan-3-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 68739243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).