N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-3-methylaniline

C18H22N2 — CID 80567320

IUPACN-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-3-methylaniline
SMILESCCN(CC1CNc2ccccc21)c1cccc(C)c1
InChIInChI=1S/C18H22N2/c1-3-20(16-8-6-7-14(2)11-16)13-15-12-19-18-10-5-4-9-17(15)18/h4-11,15,19H,3,12-13H2,1-2H3
InChIKeyNBVABFIEWPFODR-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.03
Rot. Bonds4

About N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-3-methylaniline

N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-3-methylaniline (PubChem CID 80567320) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-3-methylaniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-3-methylaniline
PubChem CID80567320
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-3-methylaniline
SMILESCCN(CC1CNc2ccccc21)c1cccc(C)c1
InChIInChI=1S/C18H22N2/c1-3-20(16-8-6-7-14(2)11-16)13-15-12-19-18-10-5-4-9-17(15)18/h4-11,15,19H,3,12-13H2,1-2H3
InChIKeyNBVABFIEWPFODR-UHFFFAOYSA-N
XLogP4.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-3-methylaniline?
The IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-3-methylaniline (CID 80567320) is N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-3-methylaniline.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-3-methylaniline?
The canonical SMILES for N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-3-methylaniline is CCN(CC1CNc2ccccc21)c1cccc(C)c1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-3-methylaniline?
The InChIKey is NBVABFIEWPFODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-20(16-8-6-7-14(2)11-16)13-15-12-19-18-10-5-4-9-17(15)18/h4-11,15,19H,3,12-13H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-3-methylaniline?
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-3-methylaniline has a molecular weight of 266.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-3-methylaniline is sourced from PubChem (CID 80567320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).