N,N-dibenzyl-2-(1-methylindol-3-yl)ethanamine

C25H26N2 — CID 19789768

IUPACN,N-dibenzyl-2-(1-methylindol-3-yl)ethanamine
SMILESCn1cc(CCN(Cc2ccccc2)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C25H26N2/c1-26-20-23(24-14-8-9-15-25(24)26)16-17-27(18-21-10-4-2-5-11-21)19-22-12-6-3-7-13-22/h2-15,20H,16-19H2,1H3
InChIKeyLRHCLVBJKHJVFW-UHFFFAOYSA-N
MW354.50 g/mol
LogP5.42
Rot. Bonds7

About N,N-dibenzyl-2-(1-methylindol-3-yl)ethanamine

N,N-dibenzyl-2-(1-methylindol-3-yl)ethanamine (PubChem CID 19789768) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N,N-dibenzyl-2-(1-methylindol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-dibenzyl-2-(1-methylindol-3-yl)ethanamine
PubChem CID19789768
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC NameN,N-dibenzyl-2-(1-methylindol-3-yl)ethanamine
SMILESCn1cc(CCN(Cc2ccccc2)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C25H26N2/c1-26-20-23(24-14-8-9-15-25(24)26)16-17-27(18-21-10-4-2-5-11-21)19-22-12-6-3-7-13-22/h2-15,20H,16-19H2,1H3
InChIKeyLRHCLVBJKHJVFW-UHFFFAOYSA-N
XLogP5.42
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(1-methylindol-3-yl)ethanamine?
The IUPAC name of N,N-dibenzyl-2-(1-methylindol-3-yl)ethanamine (CID 19789768) is N,N-dibenzyl-2-(1-methylindol-3-yl)ethanamine.
What is the SMILES notation for N,N-dibenzyl-2-(1-methylindol-3-yl)ethanamine?
The canonical SMILES for N,N-dibenzyl-2-(1-methylindol-3-yl)ethanamine is Cn1cc(CCN(Cc2ccccc2)Cc2ccccc2)c2ccccc21.
What is the InChIKey of N,N-dibenzyl-2-(1-methylindol-3-yl)ethanamine?
The InChIKey is LRHCLVBJKHJVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2/c1-26-20-23(24-14-8-9-15-25(24)26)16-17-27(18-21-10-4-2-5-11-21)19-22-12-6-3-7-13-22/h2-15,20H,16-19H2,1H3.
What are the key properties of N,N-dibenzyl-2-(1-methylindol-3-yl)ethanamine?
N,N-dibenzyl-2-(1-methylindol-3-yl)ethanamine has a molecular weight of 354.50 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(1-methylindol-3-yl)ethanamine is sourced from PubChem (CID 19789768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).