3-bromo-N-(1H-indol-7-ylmethyl)aniline

C15H13BrN2 — CID 113268158

IUPAC3-bromo-N-(1H-indol-7-ylmethyl)aniline
SMILESBrc1cccc(NCc2cccc3cc[nH]c23)c1
InChIInChI=1S/C15H13BrN2/c16-13-5-2-6-14(9-13)18-10-12-4-1-3-11-7-8-17-15(11)12/h1-9,17-18H,10H2
InChIKeyDWHHMAHLXYPWEK-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.54
Rot. Bonds3

About 3-bromo-N-(1H-indol-7-ylmethyl)aniline

3-bromo-N-(1H-indol-7-ylmethyl)aniline (PubChem CID 113268158) has the molecular formula C15H13BrN2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 3-bromo-N-(1H-indol-7-ylmethyl)aniline.

Molecular Properties

Compound Name3-bromo-N-(1H-indol-7-ylmethyl)aniline
PubChem CID113268158
Molecular FormulaC15H13BrN2
Molecular Weight301.19 g/mol
Exact Mass300.03
IUPAC Name3-bromo-N-(1H-indol-7-ylmethyl)aniline
SMILESBrc1cccc(NCc2cccc3cc[nH]c23)c1
InChIInChI=1S/C15H13BrN2/c16-13-5-2-6-14(9-13)18-10-12-4-1-3-11-7-8-17-15(11)12/h1-9,17-18H,10H2
InChIKeyDWHHMAHLXYPWEK-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-7-ylmethyl)-5-methoxyaniline
CID 103876462
4-bromo-2-fluoro-N-(1H-indol-7-ylmethyl)aniline
CID 102909203
4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline
CID 102909422
2-fluoro-4-(1H-indol-7-ylmethylamino)phenol
CID 102911136
N-(1H-indol-7-ylmethyl)-3,5-bis(trifluoromethyl)aniline
CID 162548025
N-(1H-indol-7-ylmethyl)quinolin-3-amine
CID 104624378
2-chloro-4-N-(1H-indol-7-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 103818948
4-chloro-N-(1H-indol-7-ylmethyl)-3-nitroaniline
CID 102909708
4-bromo-2,3-dichloro-N-(1H-indol-7-ylmethyl)aniline
CID 107788084
3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
CID 80650469
2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline
CID 102910790
N-(1H-indol-7-ylmethyl)-4-iodo-2-methylaniline
CID 102909688

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1H-indol-7-ylmethyl)aniline?
The IUPAC name of 3-bromo-N-(1H-indol-7-ylmethyl)aniline (CID 113268158) is 3-bromo-N-(1H-indol-7-ylmethyl)aniline.
What is the SMILES notation for 3-bromo-N-(1H-indol-7-ylmethyl)aniline?
The canonical SMILES for 3-bromo-N-(1H-indol-7-ylmethyl)aniline is Brc1cccc(NCc2cccc3cc[nH]c23)c1.
What is the InChIKey of 3-bromo-N-(1H-indol-7-ylmethyl)aniline?
The InChIKey is DWHHMAHLXYPWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2/c16-13-5-2-6-14(9-13)18-10-12-4-1-3-11-7-8-17-15(11)12/h1-9,17-18H,10H2.
What are the key properties of 3-bromo-N-(1H-indol-7-ylmethyl)aniline?
3-bromo-N-(1H-indol-7-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 3-bromo-N-(1H-indol-7-ylmethyl)aniline is sourced from PubChem (CID 113268158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).