2-methoxy-N-[[1-(4-methylpentyl)indol-6-yl]methyl]ethanamine

C18H28N2O — CID 83149657

IUPAC2-methoxy-N-[[1-(4-methylpentyl)indol-6-yl]methyl]ethanamine
SMILESCOCCNCc1ccc2ccn(CCCC(C)C)c2c1
InChIInChI=1S/C18H28N2O/c1-15(2)5-4-10-20-11-8-17-7-6-16(13-18(17)20)14-19-9-12-21-3/h6-8,11,13,15,19H,4-5,9-10,12,14H2,1-3H3
InChIKeyQWMSEOUBSHLGCL-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.81
Rot. Bonds9

About 2-methoxy-N-[[1-(4-methylpentyl)indol-6-yl]methyl]ethanamine

2-methoxy-N-[[1-(4-methylpentyl)indol-6-yl]methyl]ethanamine (PubChem CID 83149657) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(4-methylpentyl)indol-6-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(4-methylpentyl)indol-6-yl]methyl]ethanamine
PubChem CID83149657
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-methoxy-N-[[1-(4-methylpentyl)indol-6-yl]methyl]ethanamine
SMILESCOCCNCc1ccc2ccn(CCCC(C)C)c2c1
InChIInChI=1S/C18H28N2O/c1-15(2)5-4-10-20-11-8-17-7-6-16(13-18(17)20)14-19-9-12-21-3/h6-8,11,13,15,19H,4-5,9-10,12,14H2,1-3H3
InChIKeyQWMSEOUBSHLGCL-UHFFFAOYSA-N
XLogP3.81
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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'}

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Related Compounds

2-methyl-N-[[1-(4-methylpentyl)indol-6-yl]methyl]propan-1-amine
CID 83149656
4-[6-[(2-methoxyethylamino)methyl]indol-1-yl]-2-methylbutan-2-ol
CID 102917022
2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine
CID 104649955
2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-yl]methyl]ethanamine
CID 79185867
2-methoxy-N-[[1-(1,3-thiazol-4-ylmethyl)indol-6-yl]methyl]ethanamine
CID 102917030
3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 102916680
methyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate
CID 102916342
1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine
CID 102917961
1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-ol
CID 102917013
N-[[1-(2-propoxyethyl)indol-6-yl]methyl]propan-2-amine
CID 106455414
2-[6-(methylaminomethyl)indol-1-yl]ethanol
CID 102916522
1-(3-methoxypropyl)indol-6-amine
CID 58005499

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(4-methylpentyl)indol-6-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(4-methylpentyl)indol-6-yl]methyl]ethanamine (CID 83149657) is 2-methoxy-N-[[1-(4-methylpentyl)indol-6-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(4-methylpentyl)indol-6-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(4-methylpentyl)indol-6-yl]methyl]ethanamine is COCCNCc1ccc2ccn(CCCC(C)C)c2c1.
What is the InChIKey of 2-methoxy-N-[[1-(4-methylpentyl)indol-6-yl]methyl]ethanamine?
The InChIKey is QWMSEOUBSHLGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15(2)5-4-10-20-11-8-17-7-6-16(13-18(17)20)14-19-9-12-21-3/h6-8,11,13,15,19H,4-5,9-10,12,14H2,1-3H3.
What are the key properties of 2-methoxy-N-[[1-(4-methylpentyl)indol-6-yl]methyl]ethanamine?
2-methoxy-N-[[1-(4-methylpentyl)indol-6-yl]methyl]ethanamine has a molecular weight of 288.44 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(4-methylpentyl)indol-6-yl]methyl]ethanamine is sourced from PubChem (CID 83149657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).