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

C16H17BrN2 — CID 80649143

IUPAC4-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline
SMILESCc1cc(Br)ccc1NCc1cccc2c1NCC2
InChIInChI=1S/C16H17BrN2/c1-11-9-14(17)5-6-15(11)19-10-13-4-2-3-12-7-8-18-16(12)13/h2-6,9,18-19H,7-8,10H2,1H3
InChIKeyAFOFHUQTXSOGFV-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.34
Rot. Bonds3

About 4-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline

4-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline (PubChem CID 80649143) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 4-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline.

Molecular Properties

Compound Name4-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline
PubChem CID80649143
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name4-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline
SMILESCc1cc(Br)ccc1NCc1cccc2c1NCC2
InChIInChI=1S/C16H17BrN2/c1-11-9-14(17)5-6-15(11)19-10-13-4-2-3-12-7-8-18-16(12)13/h2-6,9,18-19H,7-8,10H2,1H3
InChIKeyAFOFHUQTXSOGFV-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

Analyze 4-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline
CID 107630131
3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
CID 80650469
4-bromo-2-(2,3-dihydro-1H-indol-7-ylmethylamino)benzonitrile
CID 107797533
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2,6-dimethylphenol
CID 80650501
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-5-fluoro-4-methylbenzonitrile
CID 80648861
2-bromo-6-[(4-bromo-2-methylanilino)methyl]phenol
CID 61390276
1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
CID 80649698
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline
CID 80650262
2-[2-[(4-bromo-2-methylanilino)methyl]phenyl]acetic acid
CID 115461411
N-(2,3-dihydro-1H-indol-7-ylmethyl)isoquinolin-8-amine
CID 80648918
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methyl-4-pyridinyl)methanamine
CID 114699338
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-3-amine
CID 80650139

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline?
The IUPAC name of 4-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline (CID 80649143) is 4-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline.
What is the SMILES notation for 4-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline?
The canonical SMILES for 4-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline is Cc1cc(Br)ccc1NCc1cccc2c1NCC2.
What is the InChIKey of 4-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline?
The InChIKey is AFOFHUQTXSOGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c1-11-9-14(17)5-6-15(11)19-10-13-4-2-3-12-7-8-18-16(12)13/h2-6,9,18-19H,7-8,10H2,1H3.
What are the key properties of 4-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline?
4-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 4-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline is sourced from PubChem (CID 80649143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).