N-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine

C12H17Cl2NS — CID 115760939

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)CNC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NS/c1-8(16-3)7-15-9(2)11-5-4-10(13)6-12(11)14/h4-6,8-9,15H,7H2,1-3H3
InChIKeyCTZJZBWTXAQMOV-UHFFFAOYSA-N
MW278.25 g/mol
LogP4.40
Rot. Bonds5

About N-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine

N-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine (PubChem CID 115760939) has the molecular formula C12H17Cl2NS and a molecular weight of 278.25 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine
PubChem CID115760939
Molecular FormulaC12H17Cl2NS
Molecular Weight278.25 g/mol
Exact Mass277.05
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)CNC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NS/c1-8(16-3)7-15-9(2)11-5-4-10(13)6-12(11)14/h4-6,8-9,15H,7H2,1-3H3
InChIKeyCTZJZBWTXAQMOV-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904235
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine
CID 43095140
1-[1-(2,4-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284484
N-[1-(2,4-dichlorophenyl)ethyl]but-2-yn-1-amine
CID 62312519
(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554
1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol
CID 63294934
N-[1-(2,5-dichlorophenyl)ethyl]-3-methylsulfanylbutan-1-amine
CID 113493904
3-[1-(2,4-dichlorophenyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77025241
1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 103864785
methyl 2-bromo-3-[1-(2,4-dichlorophenyl)ethylamino]propanoate
CID 103233959
3-[[1-(2,4-dichlorophenyl)ethylamino]methyl]hexan-1-ol
CID 103787405

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine (CID 115760939) is N-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine is CSC(C)CNC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine?
The InChIKey is CTZJZBWTXAQMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NS/c1-8(16-3)7-15-9(2)11-5-4-10(13)6-12(11)14/h4-6,8-9,15H,7H2,1-3H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine?
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine has a molecular weight of 278.25 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 115760939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).