4-bromo-N-(1H-indol-3-ylmethyl)aniline

C15H13BrN2 — CID 672214

IUPAC4-bromo-N-(1H-indol-3-ylmethyl)aniline
SMILESBrc1ccc(NCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C15H13BrN2/c16-12-5-7-13(8-6-12)17-9-11-10-18-15-4-2-1-3-14(11)15/h1-8,10,17-18H,9H2
InChIKeyMRJGMXIDPAJVJL-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.54
Rot. Bonds3

About 4-bromo-N-(1H-indol-3-ylmethyl)aniline

4-bromo-N-(1H-indol-3-ylmethyl)aniline (PubChem CID 672214) has the molecular formula C15H13BrN2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 4-bromo-N-(1H-indol-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(1H-indol-3-ylmethyl)aniline
PubChem CID672214
Molecular FormulaC15H13BrN2
Molecular Weight301.19 g/mol
Exact Mass300.03
IUPAC Name4-bromo-N-(1H-indol-3-ylmethyl)aniline
SMILESBrc1ccc(NCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C15H13BrN2/c16-12-5-7-13(8-6-12)17-9-11-10-18-15-4-2-1-3-14(11)15/h1-8,10,17-18H,9H2
InChIKeyMRJGMXIDPAJVJL-UHFFFAOYSA-N
XLogP4.54
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(1H-indol-3-ylmethyl)-5-methylaniline
CID 107582123
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
2-(4-bromophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine
CID 62330459
2-[4-(1H-indol-3-ylmethylamino)phenyl]acetonitrile
CID 60681635
4-(difluoromethylsulfanyl)-N-(1H-indol-3-ylmethyl)aniline
CID 60678344
N-(1H-indol-3-ylmethyl)-4-propoxyaniline
CID 62327281
4-bromo-N-(1H-indol-3-ylmethyl)-3-nitroaniline
CID 79754427
N-[(5-bromo-1H-indol-3-yl)methyl]-4-methoxyaniline
CID 20509762
4-bromo-2-N-(1H-indol-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 60681484
N-(1H-indol-3-ylmethyl)-1-benzothiophen-5-amine
CID 60981068
2-(1H-indol-3-ylmethyl)-1,1-dimethylhydrazine
CID 83003617
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-3-ylmethyl)aniline
CID 71764616

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1H-indol-3-ylmethyl)aniline?
The IUPAC name of 4-bromo-N-(1H-indol-3-ylmethyl)aniline (CID 672214) is 4-bromo-N-(1H-indol-3-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-N-(1H-indol-3-ylmethyl)aniline?
The canonical SMILES for 4-bromo-N-(1H-indol-3-ylmethyl)aniline is Brc1ccc(NCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-bromo-N-(1H-indol-3-ylmethyl)aniline?
The InChIKey is MRJGMXIDPAJVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2/c16-12-5-7-13(8-6-12)17-9-11-10-18-15-4-2-1-3-14(11)15/h1-8,10,17-18H,9H2.
What are the key properties of 4-bromo-N-(1H-indol-3-ylmethyl)aniline?
4-bromo-N-(1H-indol-3-ylmethyl)aniline has a molecular weight of 301.19 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1H-indol-3-ylmethyl)aniline is sourced from PubChem (CID 672214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).