3-(2,3-dihydro-1H-indol-5-yl)-N-methylaniline

C15H16N2 — CID 116998160

IUPAC3-(2,3-dihydro-1H-indol-5-yl)-N-methylaniline
SMILESCNc1cccc(-c2ccc3c(c2)CCN3)c1
InChIInChI=1S/C15H16N2/c1-16-14-4-2-3-11(10-14)12-5-6-15-13(9-12)7-8-17-15/h2-6,9-10,16-17H,7-8H2,1H3
InChIKeyPBEUSDWPYFWGOP-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.36
Rot. Bonds2

About 3-(2,3-dihydro-1H-indol-5-yl)-N-methylaniline

3-(2,3-dihydro-1H-indol-5-yl)-N-methylaniline (PubChem CID 116998160) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-5-yl)-N-methylaniline.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-5-yl)-N-methylaniline
PubChem CID116998160
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name3-(2,3-dihydro-1H-indol-5-yl)-N-methylaniline
SMILESCNc1cccc(-c2ccc3c(c2)CCN3)c1
InChIInChI=1S/C15H16N2/c1-16-14-4-2-3-11(10-14)12-5-6-15-13(9-12)7-8-17-15/h2-6,9-10,16-17H,7-8H2,1H3
InChIKeyPBEUSDWPYFWGOP-UHFFFAOYSA-N
XLogP3.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-N-methylaniline?
The IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-N-methylaniline (CID 116998160) is 3-(2,3-dihydro-1H-indol-5-yl)-N-methylaniline.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-5-yl)-N-methylaniline?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-5-yl)-N-methylaniline is CNc1cccc(-c2ccc3c(c2)CCN3)c1.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-5-yl)-N-methylaniline?
The InChIKey is PBEUSDWPYFWGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-16-14-4-2-3-11(10-14)12-5-6-15-13(9-12)7-8-17-15/h2-6,9-10,16-17H,7-8H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-indol-5-yl)-N-methylaniline?
3-(2,3-dihydro-1H-indol-5-yl)-N-methylaniline has a molecular weight of 224.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-5-yl)-N-methylaniline is sourced from PubChem (CID 116998160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).