2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine

C16H18Cl2N2S — CID 67297854

IUPAC2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine
SMILESNCCc1cc(Cl)ccc1Sc1ccc(Cl)cc1CCN
InChIInChI=1S/C16H18Cl2N2S/c17-13-1-3-15(11(9-13)5-7-19)21-16-4-2-14(18)10-12(16)6-8-20/h1-4,9-10H,5-8,19-20H2
InChIKeyDMTBDRZRYDJNEA-UHFFFAOYSA-N
MW341.31 g/mol
LogP4.15
Rot. Bonds6

About 2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine

2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine (PubChem CID 67297854) has the molecular formula C16H18Cl2N2S and a molecular weight of 341.31 g/mol. Its IUPAC name is 2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine
PubChem CID67297854
Molecular FormulaC16H18Cl2N2S
Molecular Weight341.31 g/mol
Exact Mass340.06
IUPAC Name2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine
SMILESNCCc1cc(Cl)ccc1Sc1ccc(Cl)cc1CCN
InChIInChI=1S/C16H18Cl2N2S/c17-13-1-3-15(11(9-13)5-7-19)21-16-4-2-14(18)10-12(16)6-8-20/h1-4,9-10H,5-8,19-20H2
InChIKeyDMTBDRZRYDJNEA-UHFFFAOYSA-N
XLogP4.15
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine
CID 114865862
2-(2-butylsulfanyl-5-chlorophenyl)ethanamine
CID 114866234
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
2-[2-[2-(2-aminoethyl)-4-propan-2-ylphenyl]sulfanyl-5-propan-2-ylphenyl]ethanamine
CID 67298155
3-(5-chloro-2-methylsulfanylphenyl)propan-1-amine
CID 82264895
4-(5-chloro-2-methylsulfanylphenyl)butan-1-amine
CID 117331778
2-[5-chloro-2-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]ethanamine
CID 67018468
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503
[5-chloro-2-(3-chlorophenyl)sulfanylphenyl]methanol
CID 114865566
2-(4-chloro-2-iodophenyl)ethanamine
CID 130050912
2-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine
CID 114792466
2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline
CID 114860357

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine?
The IUPAC name of 2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine (CID 67297854) is 2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine.
What is the SMILES notation for 2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine?
The canonical SMILES for 2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine is NCCc1cc(Cl)ccc1Sc1ccc(Cl)cc1CCN.
What is the InChIKey of 2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine?
The InChIKey is DMTBDRZRYDJNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2S/c17-13-1-3-15(11(9-13)5-7-19)21-16-4-2-14(18)10-12(16)6-8-20/h1-4,9-10H,5-8,19-20H2.
What are the key properties of 2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine?
2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine has a molecular weight of 341.31 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine is sourced from PubChem (CID 67297854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).