N-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine

C18H28N2O — CID 106455248

IUPACN-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine
SMILESCC(C)COCCn1ccc2c(CNC(C)C)cccc21
InChIInChI=1S/C18H28N2O/c1-14(2)13-21-11-10-20-9-8-17-16(12-19-15(3)4)6-5-7-18(17)20/h5-9,14-15,19H,10-13H2,1-4H3
InChIKeyAYMMDDZMSUIHRM-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.81
Rot. Bonds8

About N-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine

N-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine (PubChem CID 106455248) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine
PubChem CID106455248
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine
SMILESCC(C)COCCn1ccc2c(CNC(C)C)cccc21
InChIInChI=1S/C18H28N2O/c1-14(2)13-21-11-10-20-9-8-17-16(12-19-15(3)4)6-5-7-18(17)20/h5-9,14-15,19H,10-13H2,1-4H3
InChIKeyAYMMDDZMSUIHRM-UHFFFAOYSA-N
XLogP3.81
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-[2-(2-methylpropoxy)ethyl]indol-4-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-methylpropoxy)ethyl]-4-propan-2-yloxyindole
CID 106458016
1-[4-[(propan-2-ylamino)methyl]indol-1-yl]propan-2-ol
CID 65279152
2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol
CID 66402697
N-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine
CID 106455380
2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine
CID 106455254
N-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine
CID 62445508
N-[[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]methyl]propan-2-amine
CID 106455297
1-[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]propan-2-amine
CID 106457568
N-[2-(4-fluoroindol-1-yl)ethyl]propan-2-amine
CID 82793147
N-[[3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine
CID 106458322
N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-2-amine
CID 102914619
N-methyl-1-(1-propylindol-4-yl)propan-2-amine
CID 115106942

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine (CID 106455248) is N-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine is CC(C)COCCn1ccc2c(CNC(C)C)cccc21.
What is the InChIKey of N-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine?
The InChIKey is AYMMDDZMSUIHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)13-21-11-10-20-9-8-17-16(12-19-15(3)4)6-5-7-18(17)20/h5-9,14-15,19H,10-13H2,1-4H3.
What are the key properties of N-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine?
N-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 106455248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).