1-(2,3-dichlorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine

C12H17Cl2NO2S — CID 115851148

IUPAC1-(2,3-dichlorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1cccc(Cl)c1Cl)C(C)S(C)(=O)=O
InChIInChI=1S/C12H17Cl2NO2S/c1-4-15-12(8(2)18(3,16)17)9-6-5-7-10(13)11(9)14/h5-8,12,15H,4H2,1-3H3
InChIKeyDRPKOXRWSHEGQQ-UHFFFAOYSA-N
MW310.25 g/mol
LogP3.08
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine

1-(2,3-dichlorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine (PubChem CID 115851148) has the molecular formula C12H17Cl2NO2S and a molecular weight of 310.25 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
PubChem CID115851148
Molecular FormulaC12H17Cl2NO2S
Molecular Weight310.25 g/mol
Exact Mass309.04
IUPAC Name1-(2,3-dichlorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1cccc(Cl)c1Cl)C(C)S(C)(=O)=O
InChIInChI=1S/C12H17Cl2NO2S/c1-4-15-12(8(2)18(3,16)17)9-6-5-7-10(13)11(9)14/h5-8,12,15H,4H2,1-3H3
InChIKeyDRPKOXRWSHEGQQ-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518952
1-(2,3-dichlorophenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616818
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63413278
1-(2,5-diethylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518885
N-ethyl-1-(3-methylphenyl)-2-methylsulfonylpropan-1-amine
CID 115789749
1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 113422000
1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
CID 62790364
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine
CID 115833577
1-(2-chlorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 115801757
N-[1-[1-(2,3-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 103902046

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine (CID 115851148) is 1-(2,3-dichlorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine is CCNC(c1cccc(Cl)c1Cl)C(C)S(C)(=O)=O.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine?
The InChIKey is DRPKOXRWSHEGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2S/c1-4-15-12(8(2)18(3,16)17)9-6-5-7-10(13)11(9)14/h5-8,12,15H,4H2,1-3H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine?
1-(2,3-dichlorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine has a molecular weight of 310.25 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 115851148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).