trans-(1S,2R)-2-[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine

C15H15FN2O — CID 56653675

IUPACtrans-(1S,2R)-2-[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
SMILESCOc1cc(-c2ccc([C@H]3C[C@@H]3N)cn2)ccc1F
InChIInChI=1S/C15H15FN2O/c1-19-15-6-9(2-4-12(15)16)14-5-3-10(8-18-14)11-7-13(11)17/h2-6,8,11,13H,7,17H2,1H3/t11-,13+/m1/s1
InChIKeyDIVWRGFPTCDVBH-YPMHNXCESA-N
MW258.30 g/mol
LogP2.71
Rot. Bonds3

About trans-(1S,2R)-2-[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine

trans-(1S,2R)-2-[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine (PubChem CID 56653675) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is trans-(1S,2R)-2-[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
PubChem CID56653675
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Nametrans-(1S,2R)-2-[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
SMILESCOc1cc(-c2ccc([C@H]3C[C@@H]3N)cn2)ccc1F
InChIInChI=1S/C15H15FN2O/c1-19-15-6-9(2-4-12(15)16)14-5-3-10(8-18-14)11-7-13(11)17/h2-6,8,11,13H,7,17H2,1H3/t11-,13+/m1/s1
InChIKeyDIVWRGFPTCDVBH-YPMHNXCESA-N
XLogP2.71
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-2-[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine (CID 56653675) is trans-(1S,2R)-2-[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-2-[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-2-[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine is COc1cc(-c2ccc([C@H]3C[C@@H]3N)cn2)ccc1F.
What is the InChIKey of trans-(1S,2R)-2-[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine?
The InChIKey is DIVWRGFPTCDVBH-YPMHNXCESA-N. The full InChI is InChI=1S/C15H15FN2O/c1-19-15-6-9(2-4-12(15)16)14-5-3-10(8-18-14)11-7-13(11)17/h2-6,8,11,13H,7,17H2,1H3/t11-,13+/m1/s1.
What are the key properties of trans-(1S,2R)-2-[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine?
trans-(1S,2R)-2-[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine has a molecular weight of 258.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine is sourced from PubChem (CID 56653675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).