2-[(3,5-dimethoxyphenyl)methoxy]-1-(1H-indol-3-yl)cyclohexan-1-amine

C23H28N2O3 — CID 57112098

IUPAC2-[(3,5-dimethoxyphenyl)methoxy]-1-(1H-indol-3-yl)cyclohexan-1-amine
SMILESCOc1cc(COC2CCCCC2(N)c2c[nH]c3ccccc23)cc(OC)c1
InChIInChI=1S/C23H28N2O3/c1-26-17-11-16(12-18(13-17)27-2)15-28-22-9-5-6-10-23(22,24)20-14-25-21-8-4-3-7-19(20)21/h3-4,7-8,11-14,22,25H,5-6,9-10,15,24H2,1-2H3
InChIKeyDRXVKXWYFCPLCV-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.50
Rot. Bonds6

About 2-[(3,5-dimethoxyphenyl)methoxy]-1-(1H-indol-3-yl)cyclohexan-1-amine

2-[(3,5-dimethoxyphenyl)methoxy]-1-(1H-indol-3-yl)cyclohexan-1-amine (PubChem CID 57112098) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methoxy]-1-(1H-indol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methoxy]-1-(1H-indol-3-yl)cyclohexan-1-amine
PubChem CID57112098
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-[(3,5-dimethoxyphenyl)methoxy]-1-(1H-indol-3-yl)cyclohexan-1-amine
SMILESCOc1cc(COC2CCCCC2(N)c2c[nH]c3ccccc23)cc(OC)c1
InChIInChI=1S/C23H28N2O3/c1-26-17-11-16(12-18(13-17)27-2)15-28-22-9-5-6-10-23(22,24)20-14-25-21-8-4-3-7-19(20)21/h3-4,7-8,11-14,22,25H,5-6,9-10,15,24H2,1-2H3
InChIKeyDRXVKXWYFCPLCV-UHFFFAOYSA-N
XLogP4.50
TPSA69.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethoxyphenyl)methoxy]-1-phenylcyclohexan-1-amine
CID 22360893
2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine
CID 21202079
2-ethyl-1-(1H-indol-3-yl)cyclohexane-1-carboxamide
CID 67283773
3-(cyclopentyloxymethyl)-5-methoxyaniline
CID 81150187
(3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium
CID 2055772
ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine
CID 159069082
(2,5-dimethoxyphenyl)methyl 1H-indole-3-carboxylate
CID 8644175
5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 135014319
1-amino-2-(1H-indol-3-yl)cyclohexane-1-carboxylic acid
CID 91316564
2-ethyl-1-(4-methoxy-2-methylphenyl)cyclohexan-1-amine
CID 65313813
3-[2-(3-methoxyphenyl)ethyl]-1H-indole
CID 22038177
3-bromo-1-[(3-methoxyphenyl)methoxy]spiro[3.4]octane
CID 66343418

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methoxy]-1-(1H-indol-3-yl)cyclohexan-1-amine?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methoxy]-1-(1H-indol-3-yl)cyclohexan-1-amine (CID 57112098) is 2-[(3,5-dimethoxyphenyl)methoxy]-1-(1H-indol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methoxy]-1-(1H-indol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methoxy]-1-(1H-indol-3-yl)cyclohexan-1-amine is COc1cc(COC2CCCCC2(N)c2c[nH]c3ccccc23)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methoxy]-1-(1H-indol-3-yl)cyclohexan-1-amine?
The InChIKey is DRXVKXWYFCPLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-26-17-11-16(12-18(13-17)27-2)15-28-22-9-5-6-10-23(22,24)20-14-25-21-8-4-3-7-19(20)21/h3-4,7-8,11-14,22,25H,5-6,9-10,15,24H2,1-2H3.
What are the key properties of 2-[(3,5-dimethoxyphenyl)methoxy]-1-(1H-indol-3-yl)cyclohexan-1-amine?
2-[(3,5-dimethoxyphenyl)methoxy]-1-(1H-indol-3-yl)cyclohexan-1-amine has a molecular weight of 380.49 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methoxy]-1-(1H-indol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 57112098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).