2-[(3,5-dimethoxyphenyl)methoxy]-1-indol-1-ylcyclohexan-1-amine

C23H28N2O3 — CID 22360930

IUPAC2-[(3,5-dimethoxyphenyl)methoxy]-1-indol-1-ylcyclohexan-1-amine
SMILESCOc1cc(COC2CCCCC2(N)n2ccc3ccccc32)cc(OC)c1
InChIInChI=1S/C23H28N2O3/c1-26-19-13-17(14-20(15-19)27-2)16-28-22-9-5-6-11-23(22,24)25-12-10-18-7-3-4-8-21(18)25/h3-4,7-8,10,12-15,22H,5-6,9,11,16,24H2,1-2H3
InChIKeyLAZTXRPOLIYATK-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.43
Rot. Bonds6

About 2-[(3,5-dimethoxyphenyl)methoxy]-1-indol-1-ylcyclohexan-1-amine

2-[(3,5-dimethoxyphenyl)methoxy]-1-indol-1-ylcyclohexan-1-amine (PubChem CID 22360930) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methoxy]-1-indol-1-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methoxy]-1-indol-1-ylcyclohexan-1-amine
PubChem CID22360930
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-[(3,5-dimethoxyphenyl)methoxy]-1-indol-1-ylcyclohexan-1-amine
SMILESCOc1cc(COC2CCCCC2(N)n2ccc3ccccc32)cc(OC)c1
InChIInChI=1S/C23H28N2O3/c1-26-19-13-17(14-20(15-19)27-2)16-28-22-9-5-6-11-23(22,24)25-12-10-18-7-3-4-8-21(18)25/h3-4,7-8,10,12-15,22H,5-6,9,11,16,24H2,1-2H3
InChIKeyLAZTXRPOLIYATK-UHFFFAOYSA-N
XLogP4.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methoxy]-1-indol-1-ylcyclohexan-1-amine?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methoxy]-1-indol-1-ylcyclohexan-1-amine (CID 22360930) is 2-[(3,5-dimethoxyphenyl)methoxy]-1-indol-1-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methoxy]-1-indol-1-ylcyclohexan-1-amine?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methoxy]-1-indol-1-ylcyclohexan-1-amine is COc1cc(COC2CCCCC2(N)n2ccc3ccccc32)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methoxy]-1-indol-1-ylcyclohexan-1-amine?
The InChIKey is LAZTXRPOLIYATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-26-19-13-17(14-20(15-19)27-2)16-28-22-9-5-6-11-23(22,24)25-12-10-18-7-3-4-8-21(18)25/h3-4,7-8,10,12-15,22H,5-6,9,11,16,24H2,1-2H3.
What are the key properties of 2-[(3,5-dimethoxyphenyl)methoxy]-1-indol-1-ylcyclohexan-1-amine?
2-[(3,5-dimethoxyphenyl)methoxy]-1-indol-1-ylcyclohexan-1-amine has a molecular weight of 380.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methoxy]-1-indol-1-ylcyclohexan-1-amine is sourced from PubChem (CID 22360930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).