cis-(1S,2S)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropan-1-amine

C15H20FNO — CID 71084504

IUPACcis-(1S,2S)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropan-1-amine
SMILESCC(C)(C[C@H]1C[C@@H]1N)c1cc(F)cc2c1OCC2
InChIInChI=1S/C15H20FNO/c1-15(2,8-10-6-13(10)17)12-7-11(16)5-9-3-4-18-14(9)12/h5,7,10,13H,3-4,6,8,17H2,1-2H3/t10-,13+/m1/s1
InChIKeySAIKUILRLBUTPB-MFKMUULPSA-N
MW249.33 g/mol
LogP2.78
Rot. Bonds3

About cis-(1S,2S)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropan-1-amine

cis-(1S,2S)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropan-1-amine (PubChem CID 71084504) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is cis-(1S,2S)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,2S)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropan-1-amine
PubChem CID71084504
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Namecis-(1S,2S)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropan-1-amine
SMILESCC(C)(C[C@H]1C[C@@H]1N)c1cc(F)cc2c1OCC2
InChIInChI=1S/C15H20FNO/c1-15(2,8-10-6-13(10)17)12-7-11(16)5-9-3-4-18-14(9)12/h5,7,10,13H,3-4,6,8,17H2,1-2H3/t10-,13+/m1/s1
InChIKeySAIKUILRLBUTPB-MFKMUULPSA-N
XLogP2.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropan-1-amine?
The IUPAC name of cis-(1S,2S)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropan-1-amine (CID 71084504) is cis-(1S,2S)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropan-1-amine.
What is the SMILES notation for cis-(1S,2S)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropan-1-amine?
The canonical SMILES for cis-(1S,2S)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropan-1-amine is CC(C)(C[C@H]1C[C@@H]1N)c1cc(F)cc2c1OCC2.
What is the InChIKey of cis-(1S,2S)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropan-1-amine?
The InChIKey is SAIKUILRLBUTPB-MFKMUULPSA-N. The full InChI is InChI=1S/C15H20FNO/c1-15(2,8-10-6-13(10)17)12-7-11(16)5-9-3-4-18-14(9)12/h5,7,10,13H,3-4,6,8,17H2,1-2H3/t10-,13+/m1/s1.
What are the key properties of cis-(1S,2S)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropan-1-amine?
cis-(1S,2S)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropan-1-amine has a molecular weight of 249.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropan-1-amine is sourced from PubChem (CID 71084504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).