2-(2,5-dichlorophenyl)sulfinyl-1-(2-methylphenyl)ethanamine

C15H15Cl2NOS — CID 64659491

IUPAC2-(2,5-dichlorophenyl)sulfinyl-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)CS(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H15Cl2NOS/c1-10-4-2-3-5-12(10)14(18)9-20(19)15-8-11(16)6-7-13(15)17/h2-8,14H,9,18H2,1H3
InChIKeyRNTVYNFDJKVBJY-UHFFFAOYSA-N
MW328.26 g/mol
LogP4.11
Rot. Bonds4

About 2-(2,5-dichlorophenyl)sulfinyl-1-(2-methylphenyl)ethanamine

2-(2,5-dichlorophenyl)sulfinyl-1-(2-methylphenyl)ethanamine (PubChem CID 64659491) has the molecular formula C15H15Cl2NOS and a molecular weight of 328.26 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfinyl-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfinyl-1-(2-methylphenyl)ethanamine
PubChem CID64659491
Molecular FormulaC15H15Cl2NOS
Molecular Weight328.26 g/mol
Exact Mass327.03
IUPAC Name2-(2,5-dichlorophenyl)sulfinyl-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)CS(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H15Cl2NOS/c1-10-4-2-3-5-12(10)14(18)9-20(19)15-8-11(16)6-7-13(15)17/h2-8,14H,9,18H2,1H3
InChIKeyRNTVYNFDJKVBJY-UHFFFAOYSA-N
XLogP4.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methylsulfinyl]-1-(2-methylphenyl)ethanamine
CID 114792211
2-(4-chlorophenyl)sulfinyl-1-(2,5-dimethylphenyl)ethanamine
CID 64660399
1-(2,5-dichlorophenyl)sulfinyl-N-ethylpropan-2-amine
CID 64660271
6-(2,5-dichlorophenyl)sulfinylhexan-2-amine
CID 64660268
N-[2-(2,5-dichlorophenyl)sulfinylethyl]propan-2-amine
CID 64657735
4-(2,5-dichlorophenyl)sulfinyl-N-methylbutan-2-amine
CID 64657739
1-(5-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 105024568
(1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine
CID 124706908
2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 55095442
3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65185357
2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 92646276
(1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride
CID 171211834

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfinyl-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfinyl-1-(2-methylphenyl)ethanamine (CID 64659491) is 2-(2,5-dichlorophenyl)sulfinyl-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfinyl-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfinyl-1-(2-methylphenyl)ethanamine is Cc1ccccc1C(N)CS(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfinyl-1-(2-methylphenyl)ethanamine?
The InChIKey is RNTVYNFDJKVBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NOS/c1-10-4-2-3-5-12(10)14(18)9-20(19)15-8-11(16)6-7-13(15)17/h2-8,14H,9,18H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)sulfinyl-1-(2-methylphenyl)ethanamine?
2-(2,5-dichlorophenyl)sulfinyl-1-(2-methylphenyl)ethanamine has a molecular weight of 328.26 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfinyl-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 64659491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).