4-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine

C14H15ClN2S — CID 55076302

IUPAC4-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine
SMILESCCNc1cc(CSc2ccccc2Cl)ccn1
InChIInChI=1S/C14H15ClN2S/c1-2-16-14-9-11(7-8-17-14)10-18-13-6-4-3-5-12(13)15/h3-9H,2,10H2,1H3,(H,16,17)
InChIKeyXDMPWNAOMKDOEM-UHFFFAOYSA-N
MW278.81 g/mol
LogP4.46
Rot. Bonds5

About 4-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine

4-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine (PubChem CID 55076302) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine
PubChem CID55076302
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name4-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine
SMILESCCNc1cc(CSc2ccccc2Cl)ccn1
InChIInChI=1S/C14H15ClN2S/c1-2-16-14-9-11(7-8-17-14)10-18-13-6-4-3-5-12(13)15/h3-9H,2,10H2,1H3,(H,16,17)
InChIKeyXDMPWNAOMKDOEM-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]phenol
CID 62468746
4-[(2-chlorophenyl)methylsulfanylmethyl]-N-ethylpyridin-2-amine
CID 103289825
2-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyrimidin-4-amine
CID 66154099
4-[(2-bromophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 55192891
4-[(2,6-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 62466550
4-(butylsulfanylmethyl)-N-ethylpyridin-2-amine
CID 62469460
4-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 116689918
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-N-ethylpyridin-2-amine
CID 115478991
2-chloro-4-[(2-methylphenyl)sulfanylmethyl]pyridine
CID 62298564
4-[(2-chloro-5-methylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 62466198
4-[[benzyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 55075738
2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80654807

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine?
The IUPAC name of 4-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine (CID 55076302) is 4-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 4-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 4-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine is CCNc1cc(CSc2ccccc2Cl)ccn1.
What is the InChIKey of 4-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine?
The InChIKey is XDMPWNAOMKDOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c1-2-16-14-9-11(7-8-17-14)10-18-13-6-4-3-5-12(13)15/h3-9H,2,10H2,1H3,(H,16,17).
What are the key properties of 4-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine?
4-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine has a molecular weight of 278.81 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 55076302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).