1-(2,4-difluorophenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]cyclopentan-1-amine

C17H23F2NO — CID 99793225

IUPAC1-(2,4-difluorophenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]cyclopentan-1-amine
SMILESC[C@H]1CC[C@@H](CNC2(c3ccc(F)cc3F)CCCC2)O1
InChIInChI=1S/C17H23F2NO/c1-12-4-6-14(21-12)11-20-17(8-2-3-9-17)15-7-5-13(18)10-16(15)19/h5,7,10,12,14,20H,2-4,6,8-9,11H2,1H3/t12-,14-/m0/s1
InChIKeyPVOVHZVENKVSNS-JSGCOSHPSA-N
MW295.37 g/mol
LogP3.89
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]cyclopentan-1-amine

1-(2,4-difluorophenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]cyclopentan-1-amine (PubChem CID 99793225) has the molecular formula C17H23F2NO and a molecular weight of 295.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]cyclopentan-1-amine
PubChem CID99793225
Molecular FormulaC17H23F2NO
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC Name1-(2,4-difluorophenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]cyclopentan-1-amine
SMILESC[C@H]1CC[C@@H](CNC2(c3ccc(F)cc3F)CCCC2)O1
InChIInChI=1S/C17H23F2NO/c1-12-4-6-14(21-12)11-20-17(8-2-3-9-17)15-7-5-13(18)10-16(15)19/h5,7,10,12,14,20H,2-4,6,8-9,11H2,1H3/t12-,14-/m0/s1
InChIKeyPVOVHZVENKVSNS-JSGCOSHPSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]cyclopentan-1-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]cyclopentan-1-amine (CID 99793225) is 1-(2,4-difluorophenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]cyclopentan-1-amine is C[C@H]1CC[C@@H](CNC2(c3ccc(F)cc3F)CCCC2)O1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]cyclopentan-1-amine?
The InChIKey is PVOVHZVENKVSNS-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H23F2NO/c1-12-4-6-14(21-12)11-20-17(8-2-3-9-17)15-7-5-13(18)10-16(15)19/h5,7,10,12,14,20H,2-4,6,8-9,11H2,1H3/t12-,14-/m0/s1.
What are the key properties of 1-(2,4-difluorophenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]cyclopentan-1-amine?
1-(2,4-difluorophenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]cyclopentan-1-amine has a molecular weight of 295.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 99793225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).