2-methyl-N-[[1-(2-propoxyethyl)indol-2-yl]methyl]propan-2-amine

C18H28N2O — CID 106458265

IUPAC2-methyl-N-[[1-(2-propoxyethyl)indol-2-yl]methyl]propan-2-amine
SMILESCCCOCCn1c(CNC(C)(C)C)cc2ccccc21
InChIInChI=1S/C18H28N2O/c1-5-11-21-12-10-20-16(14-19-18(2,3)4)13-15-8-6-7-9-17(15)20/h6-9,13,19H,5,10-12,14H2,1-4H3
InChIKeyGGCRWSNBYBYVSC-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.96
Rot. Bonds7

About 2-methyl-N-[[1-(2-propoxyethyl)indol-2-yl]methyl]propan-2-amine

2-methyl-N-[[1-(2-propoxyethyl)indol-2-yl]methyl]propan-2-amine (PubChem CID 106458265) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-propoxyethyl)indol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-propoxyethyl)indol-2-yl]methyl]propan-2-amine
PubChem CID106458265
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-methyl-N-[[1-(2-propoxyethyl)indol-2-yl]methyl]propan-2-amine
SMILESCCCOCCn1c(CNC(C)(C)C)cc2ccccc21
InChIInChI=1S/C18H28N2O/c1-5-11-21-12-10-20-16(14-19-18(2,3)4)13-15-8-6-7-9-17(15)20/h6-9,13,19H,5,10-12,14H2,1-4H3
InChIKeyGGCRWSNBYBYVSC-UHFFFAOYSA-N
XLogP3.96
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[[1-(2-propoxyethyl)indol-2-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-2-yl]methanamine
CID 104567532
N-[[1-(3-ethoxypropyl)indol-2-yl]methyl]-2-methylpropan-1-amine
CID 65178002
N-methyl-1-[1-(2-propylsulfonylethyl)indol-2-yl]methanamine
CID 106731932
N-[[1-(4-methoxybutyl)indol-2-yl]methyl]propan-2-amine
CID 104649908
3-(aminomethyl)-1-(2-butoxyethyl)quinolin-2-one
CID 63019050
2-(2-ethoxyethyl)-1-ethylindole
CID 46738621
1-nonyl-2-propylindole
CID 19869956
2-(ethoxymethyl)-1-ethylindole
CID 117173973
N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66401246
N-methyl-1-[1-(3-methylsulfanylpropyl)indol-2-yl]methanamine
CID 113474415
1-[1-(2-ethylbutyl)indol-2-yl]-N-methylmethanamine
CID 82924833
N-[(1-methylindol-2-yl)methyl]propan-1-amine
CID 22593758

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-propoxyethyl)indol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(2-propoxyethyl)indol-2-yl]methyl]propan-2-amine (CID 106458265) is 2-methyl-N-[[1-(2-propoxyethyl)indol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-propoxyethyl)indol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-propoxyethyl)indol-2-yl]methyl]propan-2-amine is CCCOCCn1c(CNC(C)(C)C)cc2ccccc21.
What is the InChIKey of 2-methyl-N-[[1-(2-propoxyethyl)indol-2-yl]methyl]propan-2-amine?
The InChIKey is GGCRWSNBYBYVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-11-21-12-10-20-16(14-19-18(2,3)4)13-15-8-6-7-9-17(15)20/h6-9,13,19H,5,10-12,14H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(2-propoxyethyl)indol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(2-propoxyethyl)indol-2-yl]methyl]propan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-propoxyethyl)indol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106458265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).