N-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-N-methylaniline

C18H22N2 — CID 80566627

IUPACN-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-N-methylaniline
SMILESCCc1ccc(N(C)CC2CNc3ccccc32)cc1
InChIInChI=1S/C18H22N2/c1-3-14-8-10-16(11-9-14)20(2)13-15-12-19-18-7-5-4-6-17(15)18/h4-11,15,19H,3,12-13H2,1-2H3
InChIKeyBUWVNXLCXXFBCZ-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.89
Rot. Bonds4

About N-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-N-methylaniline

N-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-N-methylaniline (PubChem CID 80566627) 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)-4-ethyl-N-methylaniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-N-methylaniline
PubChem CID80566627
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-N-methylaniline
SMILESCCc1ccc(N(C)CC2CNc3ccccc32)cc1
InChIInChI=1S/C18H22N2/c1-3-14-8-10-16(11-9-14)20(2)13-15-12-19-18-7-5-4-6-17(15)18/h4-11,15,19H,3,12-13H2,1-2H3
InChIKeyBUWVNXLCXXFBCZ-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-N-methylaniline?
The IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-N-methylaniline (CID 80566627) is N-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-N-methylaniline.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-N-methylaniline?
The canonical SMILES for N-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-N-methylaniline is CCc1ccc(N(C)CC2CNc3ccccc32)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-N-methylaniline?
The InChIKey is BUWVNXLCXXFBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-14-8-10-16(11-9-14)20(2)13-15-12-19-18-7-5-4-6-17(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)-4-ethyl-N-methylaniline?
N-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-N-methylaniline has a molecular weight of 266.39 g/mol, XLogP of 3.89, 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)-4-ethyl-N-methylaniline is sourced from PubChem (CID 80566627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).