N-[(5-methylfuran-2-yl)methyl]-2-(4-methyl-1H-indol-3-yl)ethanamine

C17H20N2O — CID 119114393

IUPACN-[(5-methylfuran-2-yl)methyl]-2-(4-methyl-1H-indol-3-yl)ethanamine
SMILESCc1ccc(CNCCc2c[nH]c3cccc(C)c23)o1
InChIInChI=1S/C17H20N2O/c1-12-4-3-5-16-17(12)14(10-19-16)8-9-18-11-15-7-6-13(2)20-15/h3-7,10,18-19H,8-9,11H2,1-2H3
InChIKeyAKHVWFFPGVGANT-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.71
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methyl]-2-(4-methyl-1H-indol-3-yl)ethanamine

N-[(5-methylfuran-2-yl)methyl]-2-(4-methyl-1H-indol-3-yl)ethanamine (PubChem CID 119114393) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-2-(4-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-2-(4-methyl-1H-indol-3-yl)ethanamine
PubChem CID119114393
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-2-(4-methyl-1H-indol-3-yl)ethanamine
SMILESCc1ccc(CNCCc2c[nH]c3cccc(C)c23)o1
InChIInChI=1S/C17H20N2O/c1-12-4-3-5-16-17(12)14(10-19-16)8-9-18-11-15-7-6-13(2)20-15/h3-7,10,18-19H,8-9,11H2,1-2H3
InChIKeyAKHVWFFPGVGANT-UHFFFAOYSA-N
XLogP3.71
TPSA40.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 119114359
2-(4-methoxy-1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 155568249
2-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774518
4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide
CID 119774506
2-(cyclopropylmethylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774526
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 119318274
N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79762599
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
CID 111435148
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 119774498
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 109430745
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111355594
1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 110938671

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-(4-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-(4-methyl-1H-indol-3-yl)ethanamine (CID 119114393) is N-[(5-methylfuran-2-yl)methyl]-2-(4-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-2-(4-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-2-(4-methyl-1H-indol-3-yl)ethanamine is Cc1ccc(CNCCc2c[nH]c3cccc(C)c23)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-2-(4-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is AKHVWFFPGVGANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-4-3-5-16-17(12)14(10-19-16)8-9-18-11-15-7-6-13(2)20-15/h3-7,10,18-19H,8-9,11H2,1-2H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-2-(4-methyl-1H-indol-3-yl)ethanamine?
N-[(5-methylfuran-2-yl)methyl]-2-(4-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 268.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-2-(4-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 119114393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).