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

C17H20N2 — CID 80567470

IUPACN-(2,3-dihydro-1H-indol-2-ylmethyl)-N-ethylaniline
SMILESCCN(CC1Cc2ccccc2N1)c1ccccc1
InChIInChI=1S/C17H20N2/c1-2-19(16-9-4-3-5-10-16)13-15-12-14-8-6-7-11-17(14)18-15/h3-11,15,18H,2,12-13H2,1H3
InChIKeyQTDHNLJZVVCPLO-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.55
Rot. Bonds4

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

N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-ethylaniline (PubChem CID 80567470) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-ethylaniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-2-ylmethyl)-N-ethylaniline
PubChem CID80567470
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-(2,3-dihydro-1H-indol-2-ylmethyl)-N-ethylaniline
SMILESCCN(CC1Cc2ccccc2N1)c1ccccc1
InChIInChI=1S/C17H20N2/c1-2-19(16-9-4-3-5-10-16)13-15-12-14-8-6-7-11-17(14)18-15/h3-11,15,18H,2,12-13H2,1H3
InChIKeyQTDHNLJZVVCPLO-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.55
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-2-ylmethyl)-N-ethylaniline?
The IUPAC name of N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-ethylaniline (CID 80567470) is N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-ethylaniline.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-ethylaniline?
The canonical SMILES for N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-ethylaniline is CCN(CC1Cc2ccccc2N1)c1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-ethylaniline?
The InChIKey is QTDHNLJZVVCPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-2-19(16-9-4-3-5-10-16)13-15-12-14-8-6-7-11-17(14)18-15/h3-11,15,18H,2,12-13H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-ethylaniline?
N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-ethylaniline has a molecular weight of 252.36 g/mol, XLogP of 3.55, 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-2-ylmethyl)-N-ethylaniline is sourced from PubChem (CID 80567470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).