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

C15H15ClN2O — CID 56653678

IUPACtrans-(1S,2R)-2-[6-(3-chloro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
SMILESCOc1cc(Cl)cc(-c2ccc([C@H]3C[C@@H]3N)cn2)c1
InChIInChI=1S/C15H15ClN2O/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/t13-,14+/m1/s1
InChIKeyGAYNKSIIMWXZSV-KGLIPLIRSA-N
MW274.75 g/mol
LogP3.23
Rot. Bonds3

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

trans-(1S,2R)-2-[6-(3-chloro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine (PubChem CID 56653678) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is trans-(1S,2R)-2-[6-(3-chloro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[6-(3-chloro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
PubChem CID56653678
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Nametrans-(1S,2R)-2-[6-(3-chloro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
SMILESCOc1cc(Cl)cc(-c2ccc([C@H]3C[C@@H]3N)cn2)c1
InChIInChI=1S/C15H15ClN2O/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/t13-,14+/m1/s1
InChIKeyGAYNKSIIMWXZSV-KGLIPLIRSA-N
XLogP3.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.23
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-chloro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-2-[6-(3-chloro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine (CID 56653678) is trans-(1S,2R)-2-[6-(3-chloro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-2-[6-(3-chloro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-2-[6-(3-chloro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine is COc1cc(Cl)cc(-c2ccc([C@H]3C[C@@H]3N)cn2)c1.
What is the InChIKey of trans-(1S,2R)-2-[6-(3-chloro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine?
The InChIKey is GAYNKSIIMWXZSV-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H15ClN2O/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/t13-,14+/m1/s1.
What are the key properties of trans-(1S,2R)-2-[6-(3-chloro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine?
trans-(1S,2R)-2-[6-(3-chloro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine has a molecular weight of 274.75 g/mol, XLogP of 3.23, 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-chloro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine is sourced from PubChem (CID 56653678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).