2-bromo-6-[methyl(thiophen-2-ylmethyl)amino]benzonitrile

C13H11BrN2S — CID 114880619

IUPAC2-bromo-6-[methyl(thiophen-2-ylmethyl)amino]benzonitrile
SMILESCN(Cc1cccs1)c1cccc(Br)c1C#N
InChIInChI=1S/C13H11BrN2S/c1-16(9-10-4-3-7-17-10)13-6-2-5-12(14)11(13)8-15/h2-7H,9H2,1H3
InChIKeyOCWNXEOJRJAAQS-UHFFFAOYSA-N
MW307.22 g/mol
LogP4.02
Rot. Bonds3

About 2-bromo-6-[methyl(thiophen-2-ylmethyl)amino]benzonitrile

2-bromo-6-[methyl(thiophen-2-ylmethyl)amino]benzonitrile (PubChem CID 114880619) has the molecular formula C13H11BrN2S and a molecular weight of 307.22 g/mol. Its IUPAC name is 2-bromo-6-[methyl(thiophen-2-ylmethyl)amino]benzonitrile.

Molecular Properties

Compound Name2-bromo-6-[methyl(thiophen-2-ylmethyl)amino]benzonitrile
PubChem CID114880619
Molecular FormulaC13H11BrN2S
Molecular Weight307.22 g/mol
Exact Mass305.98
IUPAC Name2-bromo-6-[methyl(thiophen-2-ylmethyl)amino]benzonitrile
SMILESCN(Cc1cccs1)c1cccc(Br)c1C#N
InChIInChI=1S/C13H11BrN2S/c1-16(9-10-4-3-7-17-10)13-6-2-5-12(14)11(13)8-15/h2-7H,9H2,1H3
InChIKeyOCWNXEOJRJAAQS-UHFFFAOYSA-N
XLogP4.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 114881184
2-bromo-6-[ethyl(methyl)amino]benzonitrile
CID 114880583
2-bromo-6-[(3-methoxyphenyl)methyl-methylamino]benzonitrile
CID 114880703
2-[(4-bromothiophen-2-yl)methyl-methylamino]-6-fluorobenzonitrile
CID 47281438
2,3-difluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzonitrile
CID 107933368
5,6-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]pyridazine-4-carbonitrile
CID 80509194
3-amino-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379420
2-bromo-6-(diethylamino)benzonitrile
CID 75360863
2-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43527788
2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 79494134
3-bromo-4-[methyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 82801404
(1S)-1-[3-bromo-4-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78939692

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[methyl(thiophen-2-ylmethyl)amino]benzonitrile?
The IUPAC name of 2-bromo-6-[methyl(thiophen-2-ylmethyl)amino]benzonitrile (CID 114880619) is 2-bromo-6-[methyl(thiophen-2-ylmethyl)amino]benzonitrile.
What is the SMILES notation for 2-bromo-6-[methyl(thiophen-2-ylmethyl)amino]benzonitrile?
The canonical SMILES for 2-bromo-6-[methyl(thiophen-2-ylmethyl)amino]benzonitrile is CN(Cc1cccs1)c1cccc(Br)c1C#N.
What is the InChIKey of 2-bromo-6-[methyl(thiophen-2-ylmethyl)amino]benzonitrile?
The InChIKey is OCWNXEOJRJAAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2S/c1-16(9-10-4-3-7-17-10)13-6-2-5-12(14)11(13)8-15/h2-7H,9H2,1H3.
What are the key properties of 2-bromo-6-[methyl(thiophen-2-ylmethyl)amino]benzonitrile?
2-bromo-6-[methyl(thiophen-2-ylmethyl)amino]benzonitrile has a molecular weight of 307.22 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[methyl(thiophen-2-ylmethyl)amino]benzonitrile is sourced from PubChem (CID 114880619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).