2,6-dibromo-4-methyl-N-(1H-pyrrol-3-ylmethyl)aniline

C12H12Br2N2 — CID 66409152

IUPAC2,6-dibromo-4-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
SMILESCc1cc(Br)c(NCc2cc[nH]c2)c(Br)c1
InChIInChI=1S/C12H12Br2N2/c1-8-4-10(13)12(11(14)5-8)16-7-9-2-3-15-6-9/h2-6,15-16H,7H2,1H3
InChIKeyTYCBAVDWKQEWAC-UHFFFAOYSA-N
MW344.05 g/mol
LogP4.46
Rot. Bonds3

About 2,6-dibromo-4-methyl-N-(1H-pyrrol-3-ylmethyl)aniline

2,6-dibromo-4-methyl-N-(1H-pyrrol-3-ylmethyl)aniline (PubChem CID 66409152) has the molecular formula C12H12Br2N2 and a molecular weight of 344.05 g/mol. Its IUPAC name is 2,6-dibromo-4-methyl-N-(1H-pyrrol-3-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-dibromo-4-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
PubChem CID66409152
Molecular FormulaC12H12Br2N2
Molecular Weight344.05 g/mol
Exact Mass341.94
IUPAC Name2,6-dibromo-4-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
SMILESCc1cc(Br)c(NCc2cc[nH]c2)c(Br)c1
InChIInChI=1S/C12H12Br2N2/c1-8-4-10(13)12(11(14)5-8)16-7-9-2-3-15-6-9/h2-6,15-16H,7H2,1H3
InChIKeyTYCBAVDWKQEWAC-UHFFFAOYSA-N
XLogP4.46
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.05
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dibromo-N-[(3-bromo-4-fluorophenyl)methyl]-4-methylaniline
CID 28984078
2,6-dibromo-N-[(3,4-dimethoxyphenyl)methyl]-4-methylaniline
CID 28984269
4-[(2,6-dibromo-4-methylanilino)methyl]-2-fluorophenol
CID 107685346
2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66409186
2,6-dibromo-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylaniline
CID 43773583
2,6-dibromo-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline
CID 79979126
2,6-dibromo-N-[(2,5-dimethylphenyl)methyl]-4-methylaniline
CID 63422057
2,6-dibromo-N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylaniline
CID 65022685
2,4,6-tribromo-N-[(3-methylphenyl)methyl]aniline
CID 28991909
4-[(2,6-dibromo-4-methylanilino)methyl]-2-fluorobenzoic acid
CID 106699671
[2-bromo-6-(1H-pyrrol-3-ylmethylamino)phenyl]methanol
CID 115744128
2,6-dibromo-N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66161248

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-methyl-N-(1H-pyrrol-3-ylmethyl)aniline?
The IUPAC name of 2,6-dibromo-4-methyl-N-(1H-pyrrol-3-ylmethyl)aniline (CID 66409152) is 2,6-dibromo-4-methyl-N-(1H-pyrrol-3-ylmethyl)aniline.
What is the SMILES notation for 2,6-dibromo-4-methyl-N-(1H-pyrrol-3-ylmethyl)aniline?
The canonical SMILES for 2,6-dibromo-4-methyl-N-(1H-pyrrol-3-ylmethyl)aniline is Cc1cc(Br)c(NCc2cc[nH]c2)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-methyl-N-(1H-pyrrol-3-ylmethyl)aniline?
The InChIKey is TYCBAVDWKQEWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2/c1-8-4-10(13)12(11(14)5-8)16-7-9-2-3-15-6-9/h2-6,15-16H,7H2,1H3.
What are the key properties of 2,6-dibromo-4-methyl-N-(1H-pyrrol-3-ylmethyl)aniline?
2,6-dibromo-4-methyl-N-(1H-pyrrol-3-ylmethyl)aniline has a molecular weight of 344.05 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-methyl-N-(1H-pyrrol-3-ylmethyl)aniline is sourced from PubChem (CID 66409152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).