2-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)ethanamine

C16H17Cl2NS — CID 79214047

IUPAC2-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)ethanamine
SMILESClc1ccc(CCNCCSc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17Cl2NS/c17-14-7-6-13(16(18)12-14)8-9-19-10-11-20-15-4-2-1-3-5-15/h1-7,12,19H,8-11H2
InChIKeyQCMIKAADNFSKKA-UHFFFAOYSA-N
MW326.29 g/mol
LogP4.92
Rot. Bonds7

About 2-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)ethanamine

2-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)ethanamine (PubChem CID 79214047) has the molecular formula C16H17Cl2NS and a molecular weight of 326.29 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)ethanamine
PubChem CID79214047
Molecular FormulaC16H17Cl2NS
Molecular Weight326.29 g/mol
Exact Mass325.05
IUPAC Name2-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)ethanamine
SMILESClc1ccc(CCNCCSc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17Cl2NS/c17-14-7-6-13(16(18)12-14)8-9-19-10-11-20-15-4-2-1-3-5-15/h1-7,12,19H,8-11H2
InChIKeyQCMIKAADNFSKKA-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-3-phenoxypropan-1-amine
CID 60689892
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 60672346
N'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 11708797
4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid
CID 43377886
N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine
CID 113436854
N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine
CID 60649518
N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine
CID 60921887
2-(2,4-dichlorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 43807626
3-[2-(2,4-dichlorophenyl)ethylamino]-2,2-dimethylpropanoic acid
CID 79629031
2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 2162369
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)ethanamine (CID 79214047) is 2-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)ethanamine is Clc1ccc(CCNCCSc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)ethanamine?
The InChIKey is QCMIKAADNFSKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NS/c17-14-7-6-13(16(18)12-14)8-9-19-10-11-20-15-4-2-1-3-5-15/h1-7,12,19H,8-11H2.
What are the key properties of 2-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)ethanamine?
2-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)ethanamine has a molecular weight of 326.29 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)ethanamine is sourced from PubChem (CID 79214047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).