2-[3-[5-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-4-methoxyphenyl]-N,N-dimethylethanamine

C32H46N2O2 — CID 14680301

IUPAC2-[3-[5-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-4-methoxyphenyl]-N,N-dimethylethanamine
SMILESC=C(C)C1C(c2cc(CCN(C)C)ccc2OC)C=C(C)CC1c1cc(CCN(C)C)ccc1OC
InChIInChI=1S/C32H46N2O2/c1-22(2)32-28(26-20-24(14-16-33(4)5)10-12-30(26)35-8)18-23(3)19-29(32)27-21-25(15-17-34(6)7)11-13-31(27)36-9/h10-13,18,20-21,28-29,32H,1,14-17,19H2,2-9H3
InChIKeyZULSSCAFEXMMQF-UHFFFAOYSA-N
MW490.73 g/mol
LogP6.32
Rot. Bonds11

About 2-[3-[5-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-4-methoxyphenyl]-N,N-dimethylethanamine

2-[3-[5-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-4-methoxyphenyl]-N,N-dimethylethanamine (PubChem CID 14680301) has the molecular formula C32H46N2O2 and a molecular weight of 490.73 g/mol. Its IUPAC name is 2-[3-[5-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-4-methoxyphenyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-[5-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-4-methoxyphenyl]-N,N-dimethylethanamine
PubChem CID14680301
Molecular FormulaC32H46N2O2
Molecular Weight490.73 g/mol
Exact Mass490.36
IUPAC Name2-[3-[5-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-4-methoxyphenyl]-N,N-dimethylethanamine
SMILESC=C(C)C1C(c2cc(CCN(C)C)ccc2OC)C=C(C)CC1c1cc(CCN(C)C)ccc1OC
InChIInChI=1S/C32H46N2O2/c1-22(2)32-28(26-20-24(14-16-33(4)5)10-12-30(26)35-8)18-23(3)19-29(32)27-21-25(15-17-34(6)7)11-13-31(27)36-9/h10-13,18,20-21,28-29,32H,1,14-17,19H2,2-9H3
InChIKeyZULSSCAFEXMMQF-UHFFFAOYSA-N
XLogP6.32
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.73
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-4-methoxyphenyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-[5-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-4-methoxyphenyl]-N,N-dimethylethanamine (CID 14680301) is 2-[3-[5-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-4-methoxyphenyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-[5-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-4-methoxyphenyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-[5-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-4-methoxyphenyl]-N,N-dimethylethanamine is C=C(C)C1C(c2cc(CCN(C)C)ccc2OC)C=C(C)CC1c1cc(CCN(C)C)ccc1OC.
What is the InChIKey of 2-[3-[5-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-4-methoxyphenyl]-N,N-dimethylethanamine?
The InChIKey is ZULSSCAFEXMMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N2O2/c1-22(2)32-28(26-20-24(14-16-33(4)5)10-12-30(26)35-8)18-23(3)19-29(32)27-21-25(15-17-34(6)7)11-13-31(27)36-9/h10-13,18,20-21,28-29,32H,1,14-17,19H2,2-9H3.
What are the key properties of 2-[3-[5-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-4-methoxyphenyl]-N,N-dimethylethanamine?
2-[3-[5-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-4-methoxyphenyl]-N,N-dimethylethanamine has a molecular weight of 490.73 g/mol, XLogP of 6.32, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-4-methoxyphenyl]-N,N-dimethylethanamine is sourced from PubChem (CID 14680301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).