(6R,8R)-4-(4-ethoxyphenyl)-1,8-dimethyl-4,9-diazatricyclo[4.2.2.03,8]decane

C18H26N2O — CID 146613170

IUPAC(6R,8R)-4-(4-ethoxyphenyl)-1,8-dimethyl-4,9-diazatricyclo[4.2.2.03,8]decane
SMILESCCOc1ccc(N2C[C@H]3CNC4(C)CC2[C@@]4(C)C3)cc1
InChIInChI=1S/C18H26N2O/c1-4-21-15-7-5-14(6-8-15)20-12-13-9-17(2)16(20)10-18(17,3)19-11-13/h5-8,13,16,19H,4,9-12H2,1-3H3/t13-,16?,17-,18?/m1/s1
InChIKeyCVIZBGQQLGOWLF-OEWOMKROSA-N
MW286.42 g/mol
LogP3.05
Rot. Bonds3

About (6R,8R)-4-(4-ethoxyphenyl)-1,8-dimethyl-4,9-diazatricyclo[4.2.2.03,8]decane

(6R,8R)-4-(4-ethoxyphenyl)-1,8-dimethyl-4,9-diazatricyclo[4.2.2.03,8]decane (PubChem CID 146613170) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (6R,8R)-4-(4-ethoxyphenyl)-1,8-dimethyl-4,9-diazatricyclo[4.2.2.03,8]decane.

Molecular Properties

Compound Name(6R,8R)-4-(4-ethoxyphenyl)-1,8-dimethyl-4,9-diazatricyclo[4.2.2.03,8]decane
PubChem CID146613170
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(6R,8R)-4-(4-ethoxyphenyl)-1,8-dimethyl-4,9-diazatricyclo[4.2.2.03,8]decane
SMILESCCOc1ccc(N2C[C@H]3CNC4(C)CC2[C@@]4(C)C3)cc1
InChIInChI=1S/C18H26N2O/c1-4-21-15-7-5-14(6-8-15)20-12-13-9-17(2)16(20)10-18(17,3)19-11-13/h5-8,13,16,19H,4,9-12H2,1-3H3/t13-,16?,17-,18?/m1/s1
InChIKeyCVIZBGQQLGOWLF-OEWOMKROSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R,8R)-4-(4-ethoxyphenyl)-1,8-dimethyl-4,9-diazatricyclo[4.2.2.03,8]decane?
The IUPAC name of (6R,8R)-4-(4-ethoxyphenyl)-1,8-dimethyl-4,9-diazatricyclo[4.2.2.03,8]decane (CID 146613170) is (6R,8R)-4-(4-ethoxyphenyl)-1,8-dimethyl-4,9-diazatricyclo[4.2.2.03,8]decane.
What is the SMILES notation for (6R,8R)-4-(4-ethoxyphenyl)-1,8-dimethyl-4,9-diazatricyclo[4.2.2.03,8]decane?
The canonical SMILES for (6R,8R)-4-(4-ethoxyphenyl)-1,8-dimethyl-4,9-diazatricyclo[4.2.2.03,8]decane is CCOc1ccc(N2C[C@H]3CNC4(C)CC2[C@@]4(C)C3)cc1.
What is the InChIKey of (6R,8R)-4-(4-ethoxyphenyl)-1,8-dimethyl-4,9-diazatricyclo[4.2.2.03,8]decane?
The InChIKey is CVIZBGQQLGOWLF-OEWOMKROSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-21-15-7-5-14(6-8-15)20-12-13-9-17(2)16(20)10-18(17,3)19-11-13/h5-8,13,16,19H,4,9-12H2,1-3H3/t13-,16?,17-,18?/m1/s1.
What are the key properties of (6R,8R)-4-(4-ethoxyphenyl)-1,8-dimethyl-4,9-diazatricyclo[4.2.2.03,8]decane?
(6R,8R)-4-(4-ethoxyphenyl)-1,8-dimethyl-4,9-diazatricyclo[4.2.2.03,8]decane has a molecular weight of 286.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8R)-4-(4-ethoxyphenyl)-1,8-dimethyl-4,9-diazatricyclo[4.2.2.03,8]decane is sourced from PubChem (CID 146613170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).