trans-(1R,2S)-2-[6-(3,4-difluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine

C15H14F2N2O — CID 66714534

IUPACtrans-(1R,2S)-2-[6-(3,4-difluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
SMILESCOc1cc(-c2ccc([C@@H]3C[C@H]3N)cn2)cc(F)c1F
InChIInChI=1S/C15H14F2N2O/c1-20-14-5-9(4-11(16)15(14)17)13-3-2-8(7-19-13)10-6-12(10)18/h2-5,7,10,12H,6,18H2,1H3/t10-,12+/m0/s1
InChIKeyDLTJOFQHJFWPPK-CMPLNLGQSA-N
MW276.29 g/mol
LogP2.85
Rot. Bonds3

About trans-(1R,2S)-2-[6-(3,4-difluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine

trans-(1R,2S)-2-[6-(3,4-difluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine (PubChem CID 66714534) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is trans-(1R,2S)-2-[6-(3,4-difluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[6-(3,4-difluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
PubChem CID66714534
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Nametrans-(1R,2S)-2-[6-(3,4-difluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
SMILESCOc1cc(-c2ccc([C@@H]3C[C@H]3N)cn2)cc(F)c1F
InChIInChI=1S/C15H14F2N2O/c1-20-14-5-9(4-11(16)15(14)17)13-3-2-8(7-19-13)10-6-12(10)18/h2-5,7,10,12H,6,18H2,1H3/t10-,12+/m0/s1
InChIKeyDLTJOFQHJFWPPK-CMPLNLGQSA-N
XLogP2.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[6-(3,4-difluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-[6-(3,4-difluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine (CID 66714534) is trans-(1R,2S)-2-[6-(3,4-difluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-[6-(3,4-difluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-[6-(3,4-difluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine is COc1cc(-c2ccc([C@@H]3C[C@H]3N)cn2)cc(F)c1F.
What is the InChIKey of trans-(1R,2S)-2-[6-(3,4-difluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine?
The InChIKey is DLTJOFQHJFWPPK-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-20-14-5-9(4-11(16)15(14)17)13-3-2-8(7-19-13)10-6-12(10)18/h2-5,7,10,12H,6,18H2,1H3/t10-,12+/m0/s1.
What are the key properties of trans-(1R,2S)-2-[6-(3,4-difluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine?
trans-(1R,2S)-2-[6-(3,4-difluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine has a molecular weight of 276.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[6-(3,4-difluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine is sourced from PubChem (CID 66714534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).