1-(2,3-dichloro-4-methoxyphenyl)-2-methylsulfanylethanamine

C10H13Cl2NOS — CID 116830340

IUPAC1-(2,3-dichloro-4-methoxyphenyl)-2-methylsulfanylethanamine
SMILESCOc1ccc(C(N)CSC)c(Cl)c1Cl
InChIInChI=1S/C10H13Cl2NOS/c1-14-8-4-3-6(7(13)5-15-2)9(11)10(8)12/h3-4,7H,5,13H2,1-2H3
InChIKeyJLQGDHIWAXENQR-UHFFFAOYSA-N
MW266.19 g/mol
LogP3.36
Rot. Bonds4

About 1-(2,3-dichloro-4-methoxyphenyl)-2-methylsulfanylethanamine

1-(2,3-dichloro-4-methoxyphenyl)-2-methylsulfanylethanamine (PubChem CID 116830340) has the molecular formula C10H13Cl2NOS and a molecular weight of 266.19 g/mol. Its IUPAC name is 1-(2,3-dichloro-4-methoxyphenyl)-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-(2,3-dichloro-4-methoxyphenyl)-2-methylsulfanylethanamine
PubChem CID116830340
Molecular FormulaC10H13Cl2NOS
Molecular Weight266.19 g/mol
Exact Mass265.01
IUPAC Name1-(2,3-dichloro-4-methoxyphenyl)-2-methylsulfanylethanamine
SMILESCOc1ccc(C(N)CSC)c(Cl)c1Cl
InChIInChI=1S/C10H13Cl2NOS/c1-14-8-4-3-6(7(13)5-15-2)9(11)10(8)12/h3-4,7H,5,13H2,1-2H3
InChIKeyJLQGDHIWAXENQR-UHFFFAOYSA-N
XLogP3.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dichloro-4-methoxyphenyl)propane-1,3-diamine
CID 116932842
3-amino-3-(2,3-dichloro-4-methoxyphenyl)propane-1-thiol
CID 116831304
3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol
CID 116937817
1-(4-methoxy-2,3-dimethylphenyl)-2-methylsulfanylethanamine
CID 116830301
1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine
CID 103523339
1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine
CID 116830269
1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine
CID 105141041
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171221545
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171221531
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 171221538
1-(5-chloro-2-fluorophenyl)-2-methylsulfanylethanamine
CID 116830315
3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride
CID 170874866

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloro-4-methoxyphenyl)-2-methylsulfanylethanamine?
The IUPAC name of 1-(2,3-dichloro-4-methoxyphenyl)-2-methylsulfanylethanamine (CID 116830340) is 1-(2,3-dichloro-4-methoxyphenyl)-2-methylsulfanylethanamine.
What is the SMILES notation for 1-(2,3-dichloro-4-methoxyphenyl)-2-methylsulfanylethanamine?
The canonical SMILES for 1-(2,3-dichloro-4-methoxyphenyl)-2-methylsulfanylethanamine is COc1ccc(C(N)CSC)c(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichloro-4-methoxyphenyl)-2-methylsulfanylethanamine?
The InChIKey is JLQGDHIWAXENQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NOS/c1-14-8-4-3-6(7(13)5-15-2)9(11)10(8)12/h3-4,7H,5,13H2,1-2H3.
What are the key properties of 1-(2,3-dichloro-4-methoxyphenyl)-2-methylsulfanylethanamine?
1-(2,3-dichloro-4-methoxyphenyl)-2-methylsulfanylethanamine has a molecular weight of 266.19 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloro-4-methoxyphenyl)-2-methylsulfanylethanamine is sourced from PubChem (CID 116830340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).