5-(bromomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine

C13H15BrN2S — CID 107080224

IUPAC5-(bromomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESCc1cc(CBr)cnc1N(C)Cc1ccsc1
InChIInChI=1S/C13H15BrN2S/c1-10-5-12(6-14)7-15-13(10)16(2)8-11-3-4-17-9-11/h3-5,7,9H,6,8H2,1-2H3
InChIKeyZKMSBMLHDLRNAC-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.98
Rot. Bonds4

About 5-(bromomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine

5-(bromomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine (PubChem CID 107080224) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 5-(bromomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
PubChem CID107080224
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name5-(bromomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESCc1cc(CBr)cnc1N(C)Cc1ccsc1
InChIInChI=1S/C13H15BrN2S/c1-10-5-12(6-14)7-15-13(10)16(2)8-11-3-4-17-9-11/h3-5,7,9H,6,8H2,1-2H3
InChIKeyZKMSBMLHDLRNAC-UHFFFAOYSA-N
XLogP3.98
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 80628754
[5-methyl-6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 80631311
5-(bromomethyl)-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107081264
5-(bromomethyl)-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 107082345
5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine
CID 107081351
5-(bromomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 107080687
5-(bromomethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 107084972
5-(bromomethyl)-N,3-dimethyl-N-(3-methylbutyl)pyridin-2-amine
CID 107081147
[6-[(5-bromothiophen-3-yl)methyl-methylamino]-5-methyl-3-pyridinyl]methanol
CID 80631809
3-N,4-dimethyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 62588302
2-[6-[benzyl(methyl)amino]-5-methyl-3-pyridinyl]ethanol
CID 102544765
3-(ethylaminomethyl)-N,4,6-trimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62279601

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-(bromomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine (CID 107080224) is 5-(bromomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine is Cc1cc(CBr)cnc1N(C)Cc1ccsc1.
What is the InChIKey of 5-(bromomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The InChIKey is ZKMSBMLHDLRNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-10-5-12(6-14)7-15-13(10)16(2)8-11-3-4-17-9-11/h3-5,7,9H,6,8H2,1-2H3.
What are the key properties of 5-(bromomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
5-(bromomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine has a molecular weight of 311.25 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 107080224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).