[(1S,6R)-6-(2-chlorophenyl)-3-phenylcyclohex-3-en-1-yl]azanium

C18H19ClN+ — CID 91895870

IUPAC[(1S,6R)-6-(2-chlorophenyl)-3-phenylcyclohex-3-en-1-yl]azanium
SMILES[NH3+][C@H]1CC(c2ccccc2)=CC[C@@H]1c1ccccc1Cl
InChIInChI=1S/C18H18ClN/c19-17-9-5-4-8-15(17)16-11-10-14(12-18(16)20)13-6-2-1-3-7-13/h1-10,16,18H,11-12,20H2/p+1/t16-,18+/m1/s1
InChIKeyXJEZQQZKQBCUQB-AEFFLSMTSA-O
MW284.81 g/mol
LogP3.91
Rot. Bonds2

About [(1S,6R)-6-(2-chlorophenyl)-3-phenylcyclohex-3-en-1-yl]azanium

[(1S,6R)-6-(2-chlorophenyl)-3-phenylcyclohex-3-en-1-yl]azanium (PubChem CID 91895870) has the molecular formula C18H19ClN+ and a molecular weight of 284.81 g/mol. Its IUPAC name is [(1S,6R)-6-(2-chlorophenyl)-3-phenylcyclohex-3-en-1-yl]azanium.

Molecular Properties

Compound Name[(1S,6R)-6-(2-chlorophenyl)-3-phenylcyclohex-3-en-1-yl]azanium
PubChem CID91895870
Molecular FormulaC18H19ClN+
Molecular Weight284.81 g/mol
Exact Mass284.12
IUPAC Name[(1S,6R)-6-(2-chlorophenyl)-3-phenylcyclohex-3-en-1-yl]azanium
SMILES[NH3+][C@H]1CC(c2ccccc2)=CC[C@@H]1c1ccccc1Cl
InChIInChI=1S/C18H18ClN/c19-17-9-5-4-8-15(17)16-11-10-14(12-18(16)20)13-6-2-1-3-7-13/h1-10,16,18H,11-12,20H2/p+1/t16-,18+/m1/s1
InChIKeyXJEZQQZKQBCUQB-AEFFLSMTSA-O
XLogP3.91
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(1S,6R)-6-(2-chlorophenyl)-3-phenylcyclohex-3-en-1-yl]azanium?
The IUPAC name of [(1S,6R)-6-(2-chlorophenyl)-3-phenylcyclohex-3-en-1-yl]azanium (CID 91895870) is [(1S,6R)-6-(2-chlorophenyl)-3-phenylcyclohex-3-en-1-yl]azanium.
What is the SMILES notation for [(1S,6R)-6-(2-chlorophenyl)-3-phenylcyclohex-3-en-1-yl]azanium?
The canonical SMILES for [(1S,6R)-6-(2-chlorophenyl)-3-phenylcyclohex-3-en-1-yl]azanium is [NH3+][C@H]1CC(c2ccccc2)=CC[C@@H]1c1ccccc1Cl.
What is the InChIKey of [(1S,6R)-6-(2-chlorophenyl)-3-phenylcyclohex-3-en-1-yl]azanium?
The InChIKey is XJEZQQZKQBCUQB-AEFFLSMTSA-O. The full InChI is InChI=1S/C18H18ClN/c19-17-9-5-4-8-15(17)16-11-10-14(12-18(16)20)13-6-2-1-3-7-13/h1-10,16,18H,11-12,20H2/p+1/t16-,18+/m1/s1.
What are the key properties of [(1S,6R)-6-(2-chlorophenyl)-3-phenylcyclohex-3-en-1-yl]azanium?
[(1S,6R)-6-(2-chlorophenyl)-3-phenylcyclohex-3-en-1-yl]azanium has a molecular weight of 284.81 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6R)-6-(2-chlorophenyl)-3-phenylcyclohex-3-en-1-yl]azanium is sourced from PubChem (CID 91895870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).