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

C15H17ClN2S — CID 103289825

IUPAC4-[(2-chlorophenyl)methylsulfanylmethyl]-N-ethylpyridin-2-amine
SMILESCCNc1cc(CSCc2ccccc2Cl)ccn1
InChIInChI=1S/C15H17ClN2S/c1-2-17-15-9-12(7-8-18-15)10-19-11-13-5-3-4-6-14(13)16/h3-9H,2,10-11H2,1H3,(H,17,18)
InChIKeyWLWGMBLYXZFMBK-UHFFFAOYSA-N
MW292.83 g/mol
LogP4.60
Rot. Bonds6

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

4-[(2-chlorophenyl)methylsulfanylmethyl]-N-ethylpyridin-2-amine (PubChem CID 103289825) has the molecular formula C15H17ClN2S and a molecular weight of 292.83 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylsulfanylmethyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylsulfanylmethyl]-N-ethylpyridin-2-amine
PubChem CID103289825
Molecular FormulaC15H17ClN2S
Molecular Weight292.83 g/mol
Exact Mass292.08
IUPAC Name4-[(2-chlorophenyl)methylsulfanylmethyl]-N-ethylpyridin-2-amine
SMILESCCNc1cc(CSCc2ccccc2Cl)ccn1
InChIInChI=1S/C15H17ClN2S/c1-2-17-15-9-12(7-8-18-15)10-19-11-13-5-3-4-6-14(13)16/h3-9H,2,10-11H2,1H3,(H,17,18)
InChIKeyWLWGMBLYXZFMBK-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine
CID 55076302
4-(butylsulfanylmethyl)-N-ethylpyridin-2-amine
CID 62469460
2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]phenol
CID 62468746
4-[(2-chlorophenyl)methylsulfanylmethyl]pyridine-2-carbonitrile
CID 103825985
4-[(2,6-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 62466550
N-methyl-4-[(2-methylphenyl)methylsulfanylmethyl]pyridin-2-amine
CID 55113262
4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine
CID 80784844
4-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 116689918
1-bromo-3-[(2-chlorophenyl)methylsulfanylmethyl]benzene
CID 103599900
4-[[benzyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 55075738
4-(ethylsulfanylmethyl)-N-methylpyridin-2-amine
CID 62466942
1-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-(4-methyl-2-pyridinyl)thiourea
CID 100587483

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylsulfanylmethyl]-N-ethylpyridin-2-amine?
The IUPAC name of 4-[(2-chlorophenyl)methylsulfanylmethyl]-N-ethylpyridin-2-amine (CID 103289825) is 4-[(2-chlorophenyl)methylsulfanylmethyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 4-[(2-chlorophenyl)methylsulfanylmethyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 4-[(2-chlorophenyl)methylsulfanylmethyl]-N-ethylpyridin-2-amine is CCNc1cc(CSCc2ccccc2Cl)ccn1.
What is the InChIKey of 4-[(2-chlorophenyl)methylsulfanylmethyl]-N-ethylpyridin-2-amine?
The InChIKey is WLWGMBLYXZFMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c1-2-17-15-9-12(7-8-18-15)10-19-11-13-5-3-4-6-14(13)16/h3-9H,2,10-11H2,1H3,(H,17,18).
What are the key properties of 4-[(2-chlorophenyl)methylsulfanylmethyl]-N-ethylpyridin-2-amine?
4-[(2-chlorophenyl)methylsulfanylmethyl]-N-ethylpyridin-2-amine has a molecular weight of 292.83 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylsulfanylmethyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 103289825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).