N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,3,5-trimethylaniline

C18H22N2 — CID 114327187

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-N,3,5-trimethylaniline
SMILESCc1cc(C)cc(N(C)Cc2cccc3c2NCC3)c1
InChIInChI=1S/C18H22N2/c1-13-9-14(2)11-17(10-13)20(3)12-16-6-4-5-15-7-8-19-18(15)16/h4-6,9-11,19H,7-8,12H2,1-3H3
InChIKeyBUYKURAKOAHLCI-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.91
Rot. Bonds3

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,3,5-trimethylaniline

N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,3,5-trimethylaniline (PubChem CID 114327187) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,3,5-trimethylaniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-N,3,5-trimethylaniline
PubChem CID114327187
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-N,3,5-trimethylaniline
SMILESCc1cc(C)cc(N(C)Cc2cccc3c2NCC3)c1
InChIInChI=1S/C18H22N2/c1-13-9-14(2)11-17(10-13)20(3)12-16-6-4-5-15-7-8-19-18(15)16/h4-6,9-11,19H,7-8,12H2,1-3H3
InChIKeyBUYKURAKOAHLCI-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.91
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-7-ylmethyl)-N,3,5-trimethylaniline?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,3,5-trimethylaniline (CID 114327187) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,3,5-trimethylaniline.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,3,5-trimethylaniline?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,3,5-trimethylaniline is Cc1cc(C)cc(N(C)Cc2cccc3c2NCC3)c1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,3,5-trimethylaniline?
The InChIKey is BUYKURAKOAHLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-13-9-14(2)11-17(10-13)20(3)12-16-6-4-5-15-7-8-19-18(15)16/h4-6,9-11,19H,7-8,12H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,3,5-trimethylaniline?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,3,5-trimethylaniline has a molecular weight of 266.39 g/mol, XLogP of 3.91, 3 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-7-ylmethyl)-N,3,5-trimethylaniline is sourced from PubChem (CID 114327187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).