N-ethyl-N-[2-(5-methoxy-6-methyl-1H-indol-3-yl)ethyl]propan-1-amine

C17H26N2O — CID 168946991

IUPACN-ethyl-N-[2-(5-methoxy-6-methyl-1H-indol-3-yl)ethyl]propan-1-amine
SMILESCCCN(CC)CCc1c[nH]c2cc(C)c(OC)cc12
InChIInChI=1S/C17H26N2O/c1-5-8-19(6-2)9-7-14-12-18-16-10-13(3)17(20-4)11-15(14)16/h10-12,18H,5-9H2,1-4H3
InChIKeyXUEWQNOWNIMMNL-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.76
Rot. Bonds7

About N-ethyl-N-[2-(5-methoxy-6-methyl-1H-indol-3-yl)ethyl]propan-1-amine

N-ethyl-N-[2-(5-methoxy-6-methyl-1H-indol-3-yl)ethyl]propan-1-amine (PubChem CID 168946991) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-ethyl-N-[2-(5-methoxy-6-methyl-1H-indol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-(5-methoxy-6-methyl-1H-indol-3-yl)ethyl]propan-1-amine
PubChem CID168946991
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-ethyl-N-[2-(5-methoxy-6-methyl-1H-indol-3-yl)ethyl]propan-1-amine
SMILESCCCN(CC)CCc1c[nH]c2cc(C)c(OC)cc12
InChIInChI=1S/C17H26N2O/c1-5-8-19(6-2)9-7-14-12-18-16-10-13(3)17(20-4)11-15(14)16/h10-12,18H,5-9H2,1-4H3
InChIKeyXUEWQNOWNIMMNL-UHFFFAOYSA-N
XLogP3.76
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(5-methoxy-6-methyl-1H-indol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-ethyl-N-[2-(5-methoxy-6-methyl-1H-indol-3-yl)ethyl]propan-1-amine (CID 168946991) is N-ethyl-N-[2-(5-methoxy-6-methyl-1H-indol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-ethyl-N-[2-(5-methoxy-6-methyl-1H-indol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-ethyl-N-[2-(5-methoxy-6-methyl-1H-indol-3-yl)ethyl]propan-1-amine is CCCN(CC)CCc1c[nH]c2cc(C)c(OC)cc12.
What is the InChIKey of N-ethyl-N-[2-(5-methoxy-6-methyl-1H-indol-3-yl)ethyl]propan-1-amine?
The InChIKey is XUEWQNOWNIMMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-8-19(6-2)9-7-14-12-18-16-10-13(3)17(20-4)11-15(14)16/h10-12,18H,5-9H2,1-4H3.
What are the key properties of N-ethyl-N-[2-(5-methoxy-6-methyl-1H-indol-3-yl)ethyl]propan-1-amine?
N-ethyl-N-[2-(5-methoxy-6-methyl-1H-indol-3-yl)ethyl]propan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(5-methoxy-6-methyl-1H-indol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 168946991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).