trans-(1R,2S)-2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclopropan-1-amine

C19H18FN3O2 — CID 151289987

IUPACtrans-(1R,2S)-2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclopropan-1-amine
SMILESFc1cccc(COc2ccc([C@@H]3C[C@H]3NCc3nnco3)cc2)c1
InChIInChI=1S/C19H18FN3O2/c20-15-3-1-2-13(8-15)11-24-16-6-4-14(5-7-16)17-9-18(17)21-10-19-23-22-12-25-19/h1-8,12,17-18,21H,9-11H2/t17-,18+/m0/s1
InChIKeyOAFOJSVTQSVJJW-ZWKOTPCHSA-N
MW339.37 g/mol
LogP3.43
Rot. Bonds7

About trans-(1R,2S)-2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclopropan-1-amine

trans-(1R,2S)-2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclopropan-1-amine (PubChem CID 151289987) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is trans-(1R,2S)-2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclopropan-1-amine
PubChem CID151289987
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Nametrans-(1R,2S)-2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclopropan-1-amine
SMILESFc1cccc(COc2ccc([C@@H]3C[C@H]3NCc3nnco3)cc2)c1
InChIInChI=1S/C19H18FN3O2/c20-15-3-1-2-13(8-15)11-24-16-6-4-14(5-7-16)17-9-18(17)21-10-19-23-22-12-25-19/h1-8,12,17-18,21H,9-11H2/t17-,18+/m0/s1
InChIKeyOAFOJSVTQSVJJW-ZWKOTPCHSA-N
XLogP3.43
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N',N'-diethyl-N-[(1R,2S)-2-[4-[(3-fluorophenyl)methoxy]phenyl]cyclopropyl]ethane-1,2-diamine
CID 51034806
N',N'-diethyl-N-[2-[4-[(3-fluorophenyl)methoxy]phenyl]cyclopropyl]ethane-1,2-diamine;dihydrochloride
CID 89123737
trans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 174895535
5-[[[(1S,2R)-2-[4-[[3-(fluoromethyl)phenyl]methoxy]phenyl]cyclopropyl]amino]methyl]-1,3-thiazol-2-amine
CID 118603758
2-[[(1S,2R)-2-[4-[(3-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 67449223
N-(1,2,4-oxadiazol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 174895193
2-[[[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-oxazol-5-amine
CID 56640131
N-methyl-5-[[[2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
CID 66714790
N-methyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
CID 56640198
N,N-dimethyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
CID 56640136
2-(4-phenylmethoxyphenyl)-N-(1,2,4-triazin-6-ylmethyl)cyclopropan-1-amine
CID 174895166
5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine
CID 56639915

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclopropan-1-amine (CID 151289987) is trans-(1R,2S)-2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclopropan-1-amine is Fc1cccc(COc2ccc([C@@H]3C[C@H]3NCc3nnco3)cc2)c1.
What is the InChIKey of trans-(1R,2S)-2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclopropan-1-amine?
The InChIKey is OAFOJSVTQSVJJW-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-15-3-1-2-13(8-15)11-24-16-6-4-14(5-7-16)17-9-18(17)21-10-19-23-22-12-25-19/h1-8,12,17-18,21H,9-11H2/t17-,18+/m0/s1.
What are the key properties of trans-(1R,2S)-2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclopropan-1-amine?
trans-(1R,2S)-2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclopropan-1-amine has a molecular weight of 339.37 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3,4-oxadiazol-2-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 151289987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).