N,N-dimethyl-2-[1-(2-phenylethyl)indol-3-yl]ethanamine

C20H24N2 — CID 3028955

IUPACN,N-dimethyl-2-[1-(2-phenylethyl)indol-3-yl]ethanamine
SMILESCN(C)CCc1cn(CCc2ccccc2)c2ccccc12
InChIInChI=1S/C20H24N2/c1-21(2)14-13-18-16-22(20-11-7-6-10-19(18)20)15-12-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3
InChIKeyYTMNPPWJTDABTJ-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.99
Rot. Bonds6

About N,N-dimethyl-2-[1-(2-phenylethyl)indol-3-yl]ethanamine

N,N-dimethyl-2-[1-(2-phenylethyl)indol-3-yl]ethanamine (PubChem CID 3028955) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(2-phenylethyl)indol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(2-phenylethyl)indol-3-yl]ethanamine
PubChem CID3028955
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC NameN,N-dimethyl-2-[1-(2-phenylethyl)indol-3-yl]ethanamine
SMILESCN(C)CCc1cn(CCc2ccccc2)c2ccccc12
InChIInChI=1S/C20H24N2/c1-21(2)14-13-18-16-22(20-11-7-6-10-19(18)20)15-12-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3
InChIKeyYTMNPPWJTDABTJ-UHFFFAOYSA-N
XLogP3.99
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(2-phenylethyl)indol-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[1-(2-phenylethyl)indol-3-yl]ethanamine (CID 3028955) is N,N-dimethyl-2-[1-(2-phenylethyl)indol-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[1-(2-phenylethyl)indol-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[1-(2-phenylethyl)indol-3-yl]ethanamine is CN(C)CCc1cn(CCc2ccccc2)c2ccccc12.
What is the InChIKey of N,N-dimethyl-2-[1-(2-phenylethyl)indol-3-yl]ethanamine?
The InChIKey is YTMNPPWJTDABTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-21(2)14-13-18-16-22(20-11-7-6-10-19(18)20)15-12-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[1-(2-phenylethyl)indol-3-yl]ethanamine?
N,N-dimethyl-2-[1-(2-phenylethyl)indol-3-yl]ethanamine has a molecular weight of 292.43 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(2-phenylethyl)indol-3-yl]ethanamine is sourced from PubChem (CID 3028955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).