1-[2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-5-yl]-N-methylmethanamine

C18H28N2O — CID 115943540

IUPAC1-[2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-5-yl]-N-methylmethanamine
SMILESCNCc1ccc2c(c1)c(C)c(C)n2CCOC(C)(C)C
InChIInChI=1S/C18H28N2O/c1-13-14(2)20(9-10-21-18(3,4)5)17-8-7-15(12-19-6)11-16(13)17/h7-8,11,19H,9-10,12H2,1-6H3
InChIKeyQRKGMUSPPRWPKS-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.79
Rot. Bonds5

About 1-[2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-5-yl]-N-methylmethanamine

1-[2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-5-yl]-N-methylmethanamine (PubChem CID 115943540) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-5-yl]-N-methylmethanamine
PubChem CID115943540
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-5-yl]-N-methylmethanamine
SMILESCNCc1ccc2c(c1)c(C)c(C)n2CCOC(C)(C)C
InChIInChI=1S/C18H28N2O/c1-13-14(2)20(9-10-21-18(3,4)5)17-8-7-15(12-19-6)11-16(13)17/h7-8,11,19H,9-10,12H2,1-6H3
InChIKeyQRKGMUSPPRWPKS-UHFFFAOYSA-N
XLogP3.79
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-[1-(3-ethoxypropyl)-2,3-dimethylindol-5-yl]-N-methylmethanamine
CID 65177840
2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole-5-carboxylic acid
CID 115942933
1-(3-bromo-1,2-dimethylindol-5-yl)-N-methylmethanamine
CID 84711896
N-[[2,3-dimethyl-1-(3-methylbut-3-enyl)indol-5-yl]methyl]propan-1-amine
CID 114476978
2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-2-methylpropanoic acid
CID 86779598
1-[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine
CID 112588003
1-[9-(2-bromoethyl)carbazol-3-yl]-N-methylmethanamine
CID 58181084
1-[3-ethoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine
CID 115942171
N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]-2-methoxyethanamine
CID 79186311
[1-(2-ethylsulfonylethyl)-2,3-dimethylindol-5-yl]methanamine
CID 106731902
1-(5-hydroxypentyl)-2,3-dimethylindole-5-carboxylic acid
CID 62229225
[2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indol-5-yl]methanamine
CID 65165629

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-5-yl]-N-methylmethanamine (CID 115943540) is 1-[2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-5-yl]-N-methylmethanamine is CNCc1ccc2c(c1)c(C)c(C)n2CCOC(C)(C)C.
What is the InChIKey of 1-[2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-5-yl]-N-methylmethanamine?
The InChIKey is QRKGMUSPPRWPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-14(2)20(9-10-21-18(3,4)5)17-8-7-15(12-19-6)11-16(13)17/h7-8,11,19H,9-10,12H2,1-6H3.
What are the key properties of 1-[2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-5-yl]-N-methylmethanamine?
1-[2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-5-yl]-N-methylmethanamine has a molecular weight of 288.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 115943540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).