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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Related Compounds

6-Methoxy-4-methylquinoline
CID 258761
3-(5-Methoxy-1H-inden-2-yl)pyridine
CID 6540048
US10155760, Example 126
CID 118419759
US10155760, Example 45
CID 118419778
US10155760, Example 37
CID 118420200
US10155760, Example 49
CID 118420369
US10155760, Example 125
CID 118429626
US10155760, Example 122
CID 118429629
US10155760, Example 50
CID 118429668
US10155760, Example 35
CID 118429827
4-(4-Methoxyphenyl)-2-methylpyridine
CID 23371780
4-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 742765

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).