[(1S,3R)-3-[3,5-bis(4-fluorophenyl)phenoxy]cyclopentyl]methanamine

C24H23F2NO — CID 158144603

IUPAC[(1S,3R)-3-[3,5-bis(4-fluorophenyl)phenoxy]cyclopentyl]methanamine
SMILESNC[C@H]1CC[C@@H](Oc2cc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c2)C1
InChIInChI=1S/C24H23F2NO/c25-21-6-2-17(3-7-21)19-12-20(18-4-8-22(26)9-5-18)14-24(13-19)28-23-10-1-16(11-23)15-27/h2-9,12-14,16,23H,1,10-11,15,27H2/t16-,23+/m0/s1
InChIKeyRIGGDSKFRFCTJC-QMHKHESXSA-N
MW379.45 g/mol
LogP5.80
Rot. Bonds5

About [(1S,3R)-3-[3,5-bis(4-fluorophenyl)phenoxy]cyclopentyl]methanamine

[(1S,3R)-3-[3,5-bis(4-fluorophenyl)phenoxy]cyclopentyl]methanamine (PubChem CID 158144603) has the molecular formula C24H23F2NO and a molecular weight of 379.45 g/mol. Its IUPAC name is [(1S,3R)-3-[3,5-bis(4-fluorophenyl)phenoxy]cyclopentyl]methanamine.

Molecular Properties

Compound Name[(1S,3R)-3-[3,5-bis(4-fluorophenyl)phenoxy]cyclopentyl]methanamine
PubChem CID158144603
Molecular FormulaC24H23F2NO
Molecular Weight379.45 g/mol
Exact Mass379.17
IUPAC Name[(1S,3R)-3-[3,5-bis(4-fluorophenyl)phenoxy]cyclopentyl]methanamine
SMILESNC[C@H]1CC[C@@H](Oc2cc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c2)C1
InChIInChI=1S/C24H23F2NO/c25-21-6-2-17(3-7-21)19-12-20(18-4-8-22(26)9-5-18)14-24(13-19)28-23-10-1-16(11-23)15-27/h2-9,12-14,16,23H,1,10-11,15,27H2/t16-,23+/m0/s1
InChIKeyRIGGDSKFRFCTJC-QMHKHESXSA-N
XLogP5.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.45
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-Fluoro-phenoxy)-(4-fluoro-phenyl)-methyl]-piperidine
CID 9817902
4-[(3-Fluoro-phenoxy)-(3-fluoro-phenyl)-methyl]-piperidine
CID 10266962
2-(3-Phenoxyphenyl)-2-phenylethanamine;hydrochloride
CID 16737352
4-[(2-Fluoro-phenoxy)-(3-fluoro-phenyl)-methyl]-piperidine
CID 23562858
4-[(3,5-Difluoro-phenoxy)-phenyl-methyl]-piperidine
CID 23562859
3-(3-(Cyclohexylmethoxy)phenyl)propan-1-amine
CID 25255401
3-(3-(Cyclohexylmethoxy)phenyl)butan-1-amine
CID 25255797
4-[(4-Fluoro-phenoxy)-(3-fluoro-phenyl)-methyl]-piperidine
CID 44367799
2-[2-[(3-Ethylphenyl)methoxy]-3,5-difluorophenyl]cyclopropan-1-amine
CID 56673396
4-[Phenyl-(3-trifluoromethyl-phenoxy)-methyl]-piperidine
CID 9840678
3-(3-(Cyclohexylmethoxy)phenyl)-3-fluoropropan-1-amine
CID 58027570
3-(3-(Cyclohexylmethoxy)-5-fluorophenyl)propan-1-amine
CID 58027598

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[3,5-bis(4-fluorophenyl)phenoxy]cyclopentyl]methanamine?
The IUPAC name of [(1S,3R)-3-[3,5-bis(4-fluorophenyl)phenoxy]cyclopentyl]methanamine (CID 158144603) is [(1S,3R)-3-[3,5-bis(4-fluorophenyl)phenoxy]cyclopentyl]methanamine.
What is the SMILES notation for [(1S,3R)-3-[3,5-bis(4-fluorophenyl)phenoxy]cyclopentyl]methanamine?
The canonical SMILES for [(1S,3R)-3-[3,5-bis(4-fluorophenyl)phenoxy]cyclopentyl]methanamine is NC[C@H]1CC[C@@H](Oc2cc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c2)C1.
What is the InChIKey of [(1S,3R)-3-[3,5-bis(4-fluorophenyl)phenoxy]cyclopentyl]methanamine?
The InChIKey is RIGGDSKFRFCTJC-QMHKHESXSA-N. The full InChI is InChI=1S/C24H23F2NO/c25-21-6-2-17(3-7-21)19-12-20(18-4-8-22(26)9-5-18)14-24(13-19)28-23-10-1-16(11-23)15-27/h2-9,12-14,16,23H,1,10-11,15,27H2/t16-,23+/m0/s1.
What are the key properties of [(1S,3R)-3-[3,5-bis(4-fluorophenyl)phenoxy]cyclopentyl]methanamine?
[(1S,3R)-3-[3,5-bis(4-fluorophenyl)phenoxy]cyclopentyl]methanamine has a molecular weight of 379.45 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[3,5-bis(4-fluorophenyl)phenoxy]cyclopentyl]methanamine is sourced from PubChem (CID 158144603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).