trans-(1S,2R)-2-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride

C15H16ClFN2O — CID 162328920

IUPACtrans-(1S,2R)-2-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride
SMILESCOc1cc(F)cc(-c2ccc([C@H]3C[C@@H]3N)cn2)c1.Cl
InChIInChI=1S/C15H15FN2O.ClH/c1-19-12-5-10(4-11(16)6-12)15-3-2-9(8-18-15)13-7-14(13)17;/h2-6,8,13-14H,7,17H2,1H3;1H/t13-,14+;/m1./s1
InChIKeyVFYKJLPEXNPXPL-DFQHDRSWSA-N
MW294.76 g/mol
LogP3.13
Rot. Bonds3

About trans-(1S,2R)-2-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride

trans-(1S,2R)-2-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride (PubChem CID 162328920) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is trans-(1S,2R)-2-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride
PubChem CID162328920
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Nametrans-(1S,2R)-2-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride
SMILESCOc1cc(F)cc(-c2ccc([C@H]3C[C@@H]3N)cn2)c1.Cl
InChIInChI=1S/C15H15FN2O.ClH/c1-19-12-5-10(4-11(16)6-12)15-3-2-9(8-18-15)13-7-14(13)17;/h2-6,8,13-14H,7,17H2,1H3;1H/t13-,14+;/m1./s1
InChIKeyVFYKJLPEXNPXPL-DFQHDRSWSA-N
XLogP3.13
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.13
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-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1S,2R)-2-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride (CID 162328920) is trans-(1S,2R)-2-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1S,2R)-2-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1S,2R)-2-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride is COc1cc(F)cc(-c2ccc([C@H]3C[C@@H]3N)cn2)c1.Cl.
What is the InChIKey of trans-(1S,2R)-2-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride?
The InChIKey is VFYKJLPEXNPXPL-DFQHDRSWSA-N. The full InChI is InChI=1S/C15H15FN2O.ClH/c1-19-12-5-10(4-11(16)6-12)15-3-2-9(8-18-15)13-7-14(13)17;/h2-6,8,13-14H,7,17H2,1H3;1H/t13-,14+;/m1./s1.
What are the key properties of trans-(1S,2R)-2-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride?
trans-(1S,2R)-2-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride has a molecular weight of 294.76 g/mol, XLogP of 3.13, 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-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 162328920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).