1-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]-N-methylethanamine

C14H22ClNO3S — CID 106722519

IUPAC1-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]-N-methylethanamine
SMILESCCCS(=O)(=O)CCOc1ccc(C(C)NC)cc1Cl
InChIInChI=1S/C14H22ClNO3S/c1-4-8-20(17,18)9-7-19-14-6-5-12(10-13(14)15)11(2)16-3/h5-6,10-11,16H,4,7-9H2,1-3H3
InChIKeyQFKJJWWRASYZBU-UHFFFAOYSA-N
MW319.85 g/mol
LogP2.82
Rot. Bonds8

About 1-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]-N-methylethanamine

1-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]-N-methylethanamine (PubChem CID 106722519) has the molecular formula C14H22ClNO3S and a molecular weight of 319.85 g/mol. Its IUPAC name is 1-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]-N-methylethanamine
PubChem CID106722519
Molecular FormulaC14H22ClNO3S
Molecular Weight319.85 g/mol
Exact Mass319.10
IUPAC Name1-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]-N-methylethanamine
SMILESCCCS(=O)(=O)CCOc1ccc(C(C)NC)cc1Cl
InChIInChI=1S/C14H22ClNO3S/c1-4-8-20(17,18)9-7-19-14-6-5-12(10-13(14)15)11(2)16-3/h5-6,10-11,16H,4,7-9H2,1-3H3
InChIKeyQFKJJWWRASYZBU-UHFFFAOYSA-N
XLogP2.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.85
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine
CID 55222844
1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine
CID 62911552
N-ethyl-1-[3-fluoro-4-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106722508
1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine
CID 82954132
6-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
CID 107702855
N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 102740312
1-[3-chloro-4-(3-phenylpropoxy)phenyl]-N-methylethanamine
CID 62912780
1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine
CID 62911050
N-[[2-chloro-6-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 106722417
1-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-N-methylethanamine
CID 62911734
N-[[5-chloro-2-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 106722012
1-[3-chloro-4-(4-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 62912758

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]-N-methylethanamine (CID 106722519) is 1-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]-N-methylethanamine is CCCS(=O)(=O)CCOc1ccc(C(C)NC)cc1Cl.
What is the InChIKey of 1-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]-N-methylethanamine?
The InChIKey is QFKJJWWRASYZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO3S/c1-4-8-20(17,18)9-7-19-14-6-5-12(10-13(14)15)11(2)16-3/h5-6,10-11,16H,4,7-9H2,1-3H3.
What are the key properties of 1-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]-N-methylethanamine?
1-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]-N-methylethanamine has a molecular weight of 319.85 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 106722519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).