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

C13H15ClN2S — CID 61438001

IUPAC4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCCN(Cc1cccs1)c1cc(CCl)ccn1
InChIInChI=1S/C13H15ClN2S/c1-2-16(10-12-4-3-7-17-12)13-8-11(9-14)5-6-15-13/h3-8H,2,9-10H2,1H3
InChIKeyOCCSIYMKPBNKJP-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.91
Rot. Bonds5

About 4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine

4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 61438001) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID61438001
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCCN(Cc1cccs1)c1cc(CCl)ccn1
InChIInChI=1S/C13H15ClN2S/c1-2-16(10-12-4-3-7-17-12)13-8-11(9-14)5-6-15-13/h3-8H,2,9-10H2,1H3
InChIKeyOCCSIYMKPBNKJP-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

2-chloro-4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 81152269
3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 61437900
N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 133334503
2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80798994
6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80938995
6-chloro-N-ethyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80953358
N,N-dibutyl-4-(chloromethyl)pyridin-2-amine
CID 63445297
N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 78818781
4-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 54948539
[2-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol
CID 54946484
4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 54948605
3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 82817692

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 61438001) is 4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine is CCN(Cc1cccs1)c1cc(CCl)ccn1.
What is the InChIKey of 4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is OCCSIYMKPBNKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-2-16(10-12-4-3-7-17-12)13-8-11(9-14)5-6-15-13/h3-8H,2,9-10H2,1H3.
What are the key properties of 4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
4-(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 4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 61438001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).