trans-(1R,2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]cyclopentan-1-amine

C18H20FNO2 — CID 70070583

IUPACtrans-(1R,2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]cyclopentan-1-amine
SMILESN[C@@H]1CCC[C@@H]1COc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO2/c19-14-4-6-16(7-5-14)22-17-10-8-15(9-11-17)21-12-13-2-1-3-18(13)20/h4-11,13,18H,1-3,12,20H2/t13-,18-/m1/s1
InChIKeyCXEYZUQNZMIVSN-FZKQIMNGSA-N
MW301.36 g/mol
LogP4.12
Rot. Bonds5

About trans-(1R,2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]cyclopentan-1-amine

trans-(1R,2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]cyclopentan-1-amine (PubChem CID 70070583) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is trans-(1R,2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]cyclopentan-1-amine
PubChem CID70070583
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Nametrans-(1R,2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]cyclopentan-1-amine
SMILESN[C@@H]1CCC[C@@H]1COc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO2/c19-14-4-6-16(7-5-14)22-17-10-8-15(9-11-17)21-12-13-2-1-3-18(13)20/h4-11,13,18H,1-3,12,20H2/t13-,18-/m1/s1
InChIKeyCXEYZUQNZMIVSN-FZKQIMNGSA-N
XLogP4.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]cyclopentan-1-amine?
The IUPAC name of trans-(1R,2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]cyclopentan-1-amine (CID 70070583) is trans-(1R,2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]cyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]cyclopentan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]cyclopentan-1-amine is N[C@@H]1CCC[C@@H]1COc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of trans-(1R,2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]cyclopentan-1-amine?
The InChIKey is CXEYZUQNZMIVSN-FZKQIMNGSA-N. The full InChI is InChI=1S/C18H20FNO2/c19-14-4-6-16(7-5-14)22-17-10-8-15(9-11-17)21-12-13-2-1-3-18(13)20/h4-11,13,18H,1-3,12,20H2/t13-,18-/m1/s1.
What are the key properties of trans-(1R,2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]cyclopentan-1-amine?
trans-(1R,2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]cyclopentan-1-amine has a molecular weight of 301.36 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]cyclopentan-1-amine is sourced from PubChem (CID 70070583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).