(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethanamine

C15H14Cl3NS — CID 101478110

IUPAC(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethanamine
SMILESNC[C@H](SCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl3NS/c16-11-3-1-10(2-4-11)9-20-15(8-19)13-6-5-12(17)7-14(13)18/h1-7,15H,8-9,19H2/t15-/m0/s1
InChIKeyDRGYZNPKVLOXMU-HNNXBMFYSA-N
MW346.71 g/mol
LogP5.58
Rot. Bonds5

About (2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethanamine

(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethanamine (PubChem CID 101478110) has the molecular formula C15H14Cl3NS and a molecular weight of 346.71 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethanamine
PubChem CID101478110
Molecular FormulaC15H14Cl3NS
Molecular Weight346.71 g/mol
Exact Mass344.99
IUPAC Name(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethanamine
SMILESNC[C@H](SCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl3NS/c16-11-3-1-10(2-4-11)9-20-15(8-19)13-6-5-12(17)7-14(13)18/h1-7,15H,8-9,19H2/t15-/m0/s1
InChIKeyDRGYZNPKVLOXMU-HNNXBMFYSA-N
XLogP5.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.71
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dichlorophenethylamine
CID 142938
2-[(2-Chlorobenzyl)thio]ethanamine
CID 234909
2,4-Dichloro-1-(((2,4-dichlorobenzyl)thio)methyl)benzene
CID 223826
2-[Bis(4-chlorophenyl)methylsulfanyl]ethanamine
CID 11723014
2-[1-(4-Chlorophenyl)-1,2-diphenylethyl]sulfanylethanamine
CID 66572342
2-[1,1-Bis(4-chlorophenyl)-2-phenylethyl]sulfanylethanamine
CID 66572348
2-Aminoethylsulfanyl-[(2,4-dichlorophenyl)methylsulfanyl]methanone;hydrochloride
CID 162654566
3-(2,4-Dichlorophenyl)propan-1-amine
CID 19797638
4-(2,4-Dichlorophenyl)butan-1-amine
CID 53404099
2-[1-(2,4-Dichlorophenyl)-2-nitro-ethyl]sulfanylethanamine
CID 3008571
2-(2,4-Dichlorophenyl)-2-fluoroethanamine
CID 58409088
(2R)-2-(2,4-dichlorophenyl)-2-fluoroethanamine
CID 169172206

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethanamine?
The IUPAC name of (2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethanamine (CID 101478110) is (2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethanamine.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethanamine?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethanamine is NC[C@H](SCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethanamine?
The InChIKey is DRGYZNPKVLOXMU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H14Cl3NS/c16-11-3-1-10(2-4-11)9-20-15(8-19)13-6-5-12(17)7-14(13)18/h1-7,15H,8-9,19H2/t15-/m0/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethanamine?
(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethanamine has a molecular weight of 346.71 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 101478110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).