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

C16H15BrN2 — CID 102911661

IUPAC2-bromo-N-(1H-indol-7-ylmethyl)-3-methylaniline
SMILESCc1cccc(NCc2cccc3cc[nH]c23)c1Br
InChIInChI=1S/C16H15BrN2/c1-11-4-2-7-14(15(11)17)19-10-13-6-3-5-12-8-9-18-16(12)13/h2-9,18-19H,10H2,1H3
InChIKeyHJTKAGIFLXKVLV-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.85
Rot. Bonds3

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

2-bromo-N-(1H-indol-7-ylmethyl)-3-methylaniline (PubChem CID 102911661) has the molecular formula C16H15BrN2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-bromo-N-(1H-indol-7-ylmethyl)-3-methylaniline.

Molecular Properties

Compound Name2-bromo-N-(1H-indol-7-ylmethyl)-3-methylaniline
PubChem CID102911661
Molecular FormulaC16H15BrN2
Molecular Weight315.21 g/mol
Exact Mass314.04
IUPAC Name2-bromo-N-(1H-indol-7-ylmethyl)-3-methylaniline
SMILESCc1cccc(NCc2cccc3cc[nH]c23)c1Br
InChIInChI=1S/C16H15BrN2/c1-11-4-2-7-14(15(11)17)19-10-13-6-3-5-12-8-9-18-16(12)13/h2-9,18-19H,10H2,1H3
InChIKeyHJTKAGIFLXKVLV-UHFFFAOYSA-N
XLogP4.85
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1H-indol-7-ylmethyl)-4-iodo-2-methylaniline
CID 102909688
4-bromo-2,3-dichloro-N-(1H-indol-7-ylmethyl)aniline
CID 107788084
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
3-bromo-N-(1H-indol-7-ylmethyl)aniline
CID 113268158
methyl 2-(1H-indol-7-ylmethylamino)benzoate
CID 102909440
2-ethoxy-N-(1H-indol-7-ylmethyl)pyridin-3-amine
CID 103823702
2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline
CID 102910790
3-bromo-N-(1H-indol-7-ylmethyl)-5-methoxyaniline
CID 103876462
N-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine
CID 113234819
N-(1H-indol-7-ylmethyl)-2-methylsulfanylethanamine;hydrochloride
CID 115606849
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-7-yl)methanamine
CID 103748728

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1H-indol-7-ylmethyl)-3-methylaniline?
The IUPAC name of 2-bromo-N-(1H-indol-7-ylmethyl)-3-methylaniline (CID 102911661) is 2-bromo-N-(1H-indol-7-ylmethyl)-3-methylaniline.
What is the SMILES notation for 2-bromo-N-(1H-indol-7-ylmethyl)-3-methylaniline?
The canonical SMILES for 2-bromo-N-(1H-indol-7-ylmethyl)-3-methylaniline is Cc1cccc(NCc2cccc3cc[nH]c23)c1Br.
What is the InChIKey of 2-bromo-N-(1H-indol-7-ylmethyl)-3-methylaniline?
The InChIKey is HJTKAGIFLXKVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2/c1-11-4-2-7-14(15(11)17)19-10-13-6-3-5-12-8-9-18-16(12)13/h2-9,18-19H,10H2,1H3.
What are the key properties of 2-bromo-N-(1H-indol-7-ylmethyl)-3-methylaniline?
2-bromo-N-(1H-indol-7-ylmethyl)-3-methylaniline has a molecular weight of 315.21 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1H-indol-7-ylmethyl)-3-methylaniline is sourced from PubChem (CID 102911661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).