3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine

C13H15ClN2S — CID 61437900

IUPAC3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCCN(Cc1cccs1)c1ncccc1CCl
InChIInChI=1S/C13H15ClN2S/c1-2-16(10-12-6-4-8-17-12)13-11(9-14)5-3-7-15-13/h3-8H,2,9-10H2,1H3
InChIKeyDXDZCWVQZJFEKN-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.91
Rot. Bonds5

About 3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine

3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 61437900) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID61437900
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCCN(Cc1cccs1)c1ncccc1CCl
InChIInChI=1S/C13H15ClN2S/c1-2-16(10-12-6-4-8-17-12)13-11(9-14)5-3-7-15-13/h3-8H,2,9-10H2,1H3
InChIKeyDXDZCWVQZJFEKN-UHFFFAOYSA-N
XLogP3.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.91
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

4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 61438001
3-(chloromethyl)-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine
CID 61447035
[5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol
CID 62000735
3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43528549
6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 63023419
3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 82817692
3-[ethyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboximidamide
CID 62684545
5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62287912
3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114057374
4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 79915736
4-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carbaldehyde
CID 66334837
5-N-ethyl-5-N-(thiophen-2-ylmethyl)quinoline-5,8-diamine
CID 61436706

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 61437900) is 3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine is CCN(Cc1cccs1)c1ncccc1CCl.
What is the InChIKey of 3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is DXDZCWVQZJFEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-2-16(10-12-6-4-8-17-12)13-11(9-14)5-3-7-15-13/h3-8H,2,9-10H2,1H3.
What are the key properties of 3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine has a molecular weight of 266.80 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 61437900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).