4-methoxy-4-[3-(methoxymethyl)-1H-indol-2-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine

C25H32N2O2 — CID 68633204

IUPAC4-methoxy-4-[3-(methoxymethyl)-1H-indol-2-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine
SMILESCOCc1c(C2(OC)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccccc12
InChIInChI=1S/C25H32N2O2/c1-27(2)24(19-10-6-5-7-11-19)14-16-25(29-4,17-15-24)23-21(18-28-3)20-12-8-9-13-22(20)26-23/h5-13,26H,14-18H2,1-4H3
InChIKeyJZSUAZCSSVHORM-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.19
Rot. Bonds6

About 4-methoxy-4-[3-(methoxymethyl)-1H-indol-2-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine

4-methoxy-4-[3-(methoxymethyl)-1H-indol-2-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine (PubChem CID 68633204) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 4-methoxy-4-[3-(methoxymethyl)-1H-indol-2-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-[3-(methoxymethyl)-1H-indol-2-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine
PubChem CID68633204
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name4-methoxy-4-[3-(methoxymethyl)-1H-indol-2-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine
SMILESCOCc1c(C2(OC)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccccc12
InChIInChI=1S/C25H32N2O2/c1-27(2)24(19-10-6-5-7-11-19)14-16-25(29-4,17-15-24)23-21(18-28-3)20-12-8-9-13-22(20)26-23/h5-13,26H,14-18H2,1-4H3
InChIKeyJZSUAZCSSVHORM-UHFFFAOYSA-N
XLogP5.19
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1,4-diphenylcyclohexan-1-amine
CID 44513166
methanamine;1-N,4-N,4-N-trimethyl-1-(3-methyl-1H-indol-2-yl)-4-phenylcyclohexane-1,4-diamine
CID 161129194
N-[4-(dimethylamino)-1-(3-methyl-1H-indol-2-yl)-4-phenylcyclohexyl]-N-methylacetamide
CID 158979433
3-[2-[4-(dimethylamino)-4-phenylcyclohexyl]-1H-indol-3-yl]propan-1-ol;hydrochloride
CID 24953997
3-(methoxymethyl)-1H-indole-2-carboxylic acid
CID 54375862
4-(dimethylamino)-1-[(2R)-2-methyl-3-(2-triethylsilyl-1H-indol-3-yl)propyl]-4-phenylcyclohexan-1-ol
CID 68629968
4-ethoxy-4-(3-methoxyprop-1-ynyl)-N,N-dimethyl-1-phenylcyclohexan-1-amine
CID 86634680
N,N-dimethyl-1-phenyl-4-[3-[2-(triazol-1-yl)ethyl]-1H-indol-2-yl]cyclohexan-1-amine
CID 24953651
N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 118711487
cyclobutyl-[1'-(dimethylamino)-1'-phenylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-cyclohexane]-2-yl]methanone
CID 59803763
6-fluoro-N,N-dimethyl-1'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-cyclohexane]-1'-amine
CID 11956794
2-hydroxypropane-1,2,3-tricarboxylic acid;N,N,3-trimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine
CID 66986523

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-[3-(methoxymethyl)-1H-indol-2-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The IUPAC name of 4-methoxy-4-[3-(methoxymethyl)-1H-indol-2-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine (CID 68633204) is 4-methoxy-4-[3-(methoxymethyl)-1H-indol-2-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine.
What is the SMILES notation for 4-methoxy-4-[3-(methoxymethyl)-1H-indol-2-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The canonical SMILES for 4-methoxy-4-[3-(methoxymethyl)-1H-indol-2-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine is COCc1c(C2(OC)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccccc12.
What is the InChIKey of 4-methoxy-4-[3-(methoxymethyl)-1H-indol-2-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The InChIKey is JZSUAZCSSVHORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-27(2)24(19-10-6-5-7-11-19)14-16-25(29-4,17-15-24)23-21(18-28-3)20-12-8-9-13-22(20)26-23/h5-13,26H,14-18H2,1-4H3.
What are the key properties of 4-methoxy-4-[3-(methoxymethyl)-1H-indol-2-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
4-methoxy-4-[3-(methoxymethyl)-1H-indol-2-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine has a molecular weight of 392.54 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-[3-(methoxymethyl)-1H-indol-2-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine is sourced from PubChem (CID 68633204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).