N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine

C15H20N2O — CID 169222305

IUPACN-[2-(7-methoxy-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)CCc1c[nH]c2c(OC)cccc12
InChIInChI=1S/C15H20N2O/c1-4-9-17(2)10-8-12-11-16-15-13(12)6-5-7-14(15)18-3/h4-7,11,16H,1,8-10H2,2-3H3
InChIKeyXONDENBVIIEXAU-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.84
Rot. Bonds6

About N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine

N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine (PubChem CID 169222305) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(7-methoxy-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine
PubChem CID169222305
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[2-(7-methoxy-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)CCc1c[nH]c2c(OC)cccc12
InChIInChI=1S/C15H20N2O/c1-4-9-17(2)10-8-12-11-16-15-13(12)6-5-7-14(15)18-3/h4-7,11,16H,1,8-10H2,2-3H3
InChIKeyXONDENBVIIEXAU-UHFFFAOYSA-N
XLogP2.84
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine?
The IUPAC name of N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine (CID 169222305) is N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine is C=CCN(C)CCc1c[nH]c2c(OC)cccc12.
What is the InChIKey of N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine?
The InChIKey is XONDENBVIIEXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-9-17(2)10-8-12-11-16-15-13(12)6-5-7-14(15)18-3/h4-7,11,16H,1,8-10H2,2-3H3.
What are the key properties of N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine?
N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 169222305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).