3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline

C16H17BrN2 — CID 107630131

IUPAC3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline
SMILESCc1c(Br)cccc1NCc1cccc2c1NCC2
InChIInChI=1S/C16H17BrN2/c1-11-14(17)6-3-7-15(11)19-10-13-5-2-4-12-8-9-18-16(12)13/h2-7,18-19H,8-10H2,1H3
InChIKeyJITNCVGTTGGNGQ-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.34
Rot. Bonds3

About 3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline

3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline (PubChem CID 107630131) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline.

Molecular Properties

Compound Name3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline
PubChem CID107630131
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline
SMILESCc1c(Br)cccc1NCc1cccc2c1NCC2
InChIInChI=1S/C16H17BrN2/c1-11-14(17)6-3-7-15(11)19-10-13-5-2-4-12-8-9-18-16(12)13/h2-7,18-19H,8-10H2,1H3
InChIKeyJITNCVGTTGGNGQ-UHFFFAOYSA-N
XLogP4.34
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline?
The IUPAC name of 3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline (CID 107630131) is 3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline.
What is the SMILES notation for 3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline?
The canonical SMILES for 3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline is Cc1c(Br)cccc1NCc1cccc2c1NCC2.
What is the InChIKey of 3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline?
The InChIKey is JITNCVGTTGGNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c1-11-14(17)6-3-7-15(11)19-10-13-5-2-4-12-8-9-18-16(12)13/h2-7,18-19H,8-10H2,1H3.
What are the key properties of 3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline?
3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline has a molecular weight of 317.23 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline is sourced from PubChem (CID 107630131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).