2-(3-chlorophenyl)sulfinyl-1-(4-propylphenyl)ethanamine

C17H20ClNOS — CID 64660330

IUPAC2-(3-chlorophenyl)sulfinyl-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(N)CS(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClNOS/c1-2-4-13-7-9-14(10-8-13)17(19)12-21(20)16-6-3-5-15(18)11-16/h3,5-11,17H,2,4,12,19H2,1H3
InChIKeyDYKWJFSXJLTKSK-UHFFFAOYSA-N
MW321.87 g/mol
LogP4.10
Rot. Bonds6

About 2-(3-chlorophenyl)sulfinyl-1-(4-propylphenyl)ethanamine

2-(3-chlorophenyl)sulfinyl-1-(4-propylphenyl)ethanamine (PubChem CID 64660330) has the molecular formula C17H20ClNOS and a molecular weight of 321.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfinyl-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfinyl-1-(4-propylphenyl)ethanamine
PubChem CID64660330
Molecular FormulaC17H20ClNOS
Molecular Weight321.87 g/mol
Exact Mass321.10
IUPAC Name2-(3-chlorophenyl)sulfinyl-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(N)CS(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClNOS/c1-2-4-13-7-9-14(10-8-13)17(19)12-21(20)16-6-3-5-15(18)11-16/h3,5-11,17H,2,4,12,19H2,1H3
InChIKeyDYKWJFSXJLTKSK-UHFFFAOYSA-N
XLogP4.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorophenyl)sulfinyl-1-(4-propylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorophenyl)sulfinyl-1-(3-methoxyphenyl)ethanamine
CID 64658769
2-pentylsulfinyl-1-(4-propylphenyl)ethanamine
CID 107758972
1-(3-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64658378
1-chloro-3-propan-2-ylbenzene;1-chloro-4-propylbenzene
CID 177178951
2-(3-chloro-4-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine
CID 115477299
2-(3-chlorophenyl)sulfinylethanamine
CID 62645966
1-(4-propylphenyl)-2-thiophen-2-ylethanamine
CID 62800451
2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 63412084
1-(4-propylphenyl)-4-thiophen-2-ylbutan-1-amine
CID 105144372
2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104754280
2-phenyl-1-(4-propylphenyl)ethanamine
CID 43100730
N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754287

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfinyl-1-(4-propylphenyl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)sulfinyl-1-(4-propylphenyl)ethanamine (CID 64660330) is 2-(3-chlorophenyl)sulfinyl-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfinyl-1-(4-propylphenyl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)sulfinyl-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(N)CS(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)sulfinyl-1-(4-propylphenyl)ethanamine?
The InChIKey is DYKWJFSXJLTKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNOS/c1-2-4-13-7-9-14(10-8-13)17(19)12-21(20)16-6-3-5-15(18)11-16/h3,5-11,17H,2,4,12,19H2,1H3.
What are the key properties of 2-(3-chlorophenyl)sulfinyl-1-(4-propylphenyl)ethanamine?
2-(3-chlorophenyl)sulfinyl-1-(4-propylphenyl)ethanamine has a molecular weight of 321.87 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfinyl-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 64660330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).