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

C13H15ClN2S — CID 80628754

IUPAC5-(chloromethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESCc1cc(CCl)cnc1N(C)Cc1ccsc1
InChIInChI=1S/C13H15ClN2S/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
InChIKeyVBISGTDVIDDZSY-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.83
Rot. Bonds4

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

5-(chloromethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine (PubChem CID 80628754) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 5-(chloromethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
PubChem CID80628754
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name5-(chloromethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESCc1cc(CCl)cnc1N(C)Cc1ccsc1
InChIInChI=1S/C13H15ClN2S/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
InChIKeyVBISGTDVIDDZSY-UHFFFAOYSA-N
XLogP3.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-(chloromethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine (CID 80628754) is 5-(chloromethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine is Cc1cc(CCl)cnc1N(C)Cc1ccsc1.
What is the InChIKey of 5-(chloromethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The InChIKey is VBISGTDVIDDZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/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-(chloromethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
5-(chloromethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine has a molecular weight of 266.80 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 80628754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).