1-(2-chloro-3-methylphenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine

C15H24ClNO2S — CID 115865374

IUPAC1-(2-chloro-3-methylphenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine
SMILESCCNC(CCCS(=O)(=O)CC)c1cccc(C)c1Cl
InChIInChI=1S/C15H24ClNO2S/c1-4-17-14(10-7-11-20(18,19)5-2)13-9-6-8-12(3)15(13)16/h6,8-9,14,17H,4-5,7,10-11H2,1-3H3
InChIKeyNUMYJIVJWPVXBJ-UHFFFAOYSA-N
MW317.88 g/mol
LogP3.51
Rot. Bonds8

About 1-(2-chloro-3-methylphenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine

1-(2-chloro-3-methylphenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine (PubChem CID 115865374) has the molecular formula C15H24ClNO2S and a molecular weight of 317.88 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine
PubChem CID115865374
Molecular FormulaC15H24ClNO2S
Molecular Weight317.88 g/mol
Exact Mass317.12
IUPAC Name1-(2-chloro-3-methylphenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine
SMILESCCNC(CCCS(=O)(=O)CC)c1cccc(C)c1Cl
InChIInChI=1S/C15H24ClNO2S/c1-4-17-14(10-7-11-20(18,19)5-2)13-9-6-8-12(3)15(13)16/h6,8-9,14,17H,4-5,7,10-11H2,1-3H3
InChIKeyNUMYJIVJWPVXBJ-UHFFFAOYSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.88
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-ethylsulfonyl-1-(2-fluoro-3-methylphenyl)butan-1-amine
CID 115865493
1-(2-chloro-3-methylphenyl)-N-ethylpentan-1-amine
CID 115832857
1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine
CID 114982245
1-(2-chloro-3-methylphenyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820969
1-(2,3-dimethylphenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820292
1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine
CID 104987508
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 107968353
1-(5-chloro-2-methylphenyl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 115865190
1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine
CID 115833577
1-(2-chloro-3-methylphenyl)hexylhydrazine
CID 105294703
1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine
CID 114982147
1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine
CID 104987124

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine (CID 115865374) is 1-(2-chloro-3-methylphenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine is CCNC(CCCS(=O)(=O)CC)c1cccc(C)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine?
The InChIKey is NUMYJIVJWPVXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2S/c1-4-17-14(10-7-11-20(18,19)5-2)13-9-6-8-12(3)15(13)16/h6,8-9,14,17H,4-5,7,10-11H2,1-3H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine?
1-(2-chloro-3-methylphenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine has a molecular weight of 317.88 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methylphenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine is sourced from PubChem (CID 115865374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).