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

C14H13ClN2 — CID 56652650

IUPACtrans-(1S,2R)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropan-1-amine
SMILESN[C@H]1C[C@@H]1c1ccc(-c2ccc(Cl)cc2)nc1
InChIInChI=1S/C14H13ClN2/c15-11-4-1-9(2-5-11)14-6-3-10(8-17-14)12-7-13(12)16/h1-6,8,12-13H,7,16H2/t12-,13+/m1/s1
InChIKeyFRQGQGSQGRWZQM-OLZOCXBDSA-N
MW244.73 g/mol
LogP3.22
Rot. Bonds2

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

trans-(1S,2R)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropan-1-amine (PubChem CID 56652650) has the molecular formula C14H13ClN2 and a molecular weight of 244.73 g/mol. Its IUPAC name is trans-(1S,2R)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropan-1-amine
PubChem CID56652650
Molecular FormulaC14H13ClN2
Molecular Weight244.73 g/mol
Exact Mass244.08
IUPAC Nametrans-(1S,2R)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropan-1-amine
SMILESN[C@H]1C[C@@H]1c1ccc(-c2ccc(Cl)cc2)nc1
InChIInChI=1S/C14H13ClN2/c15-11-4-1-9(2-5-11)14-6-3-10(8-17-14)12-7-13(12)16/h1-6,8,12-13H,7,16H2/t12-,13+/m1/s1
InChIKeyFRQGQGSQGRWZQM-OLZOCXBDSA-N
XLogP3.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropan-1-amine (CID 56652650) is trans-(1S,2R)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropan-1-amine is N[C@H]1C[C@@H]1c1ccc(-c2ccc(Cl)cc2)nc1.
What is the InChIKey of trans-(1S,2R)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropan-1-amine?
The InChIKey is FRQGQGSQGRWZQM-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H13ClN2/c15-11-4-1-9(2-5-11)14-6-3-10(8-17-14)12-7-13(12)16/h1-6,8,12-13H,7,16H2/t12-,13+/m1/s1.
What are the key properties of trans-(1S,2R)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropan-1-amine?
trans-(1S,2R)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropan-1-amine has a molecular weight of 244.73 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropan-1-amine is sourced from PubChem (CID 56652650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).