(5-chloro-2-methoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methanamine

C13H18ClNOS2 — CID 115386747

IUPAC(5-chloro-2-methoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methanamine
SMILESCOc1ccc(Cl)cc1C(N)C1SCCSC1C
InChIInChI=1S/C13H18ClNOS2/c1-8-13(18-6-5-17-8)12(15)10-7-9(14)3-4-11(10)16-2/h3-4,7-8,12-13H,5-6,15H2,1-2H3
InChIKeyUOIZNTUMLJICMG-UHFFFAOYSA-N
MW303.88 g/mol
LogP3.59
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methanamine

(5-chloro-2-methoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methanamine (PubChem CID 115386747) has the molecular formula C13H18ClNOS2 and a molecular weight of 303.88 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methanamine
PubChem CID115386747
Molecular FormulaC13H18ClNOS2
Molecular Weight303.88 g/mol
Exact Mass303.05
IUPAC Name(5-chloro-2-methoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methanamine
SMILESCOc1ccc(Cl)cc1C(N)C1SCCSC1C
InChIInChI=1S/C13H18ClNOS2/c1-8-13(18-6-5-17-8)12(15)10-7-9(14)3-4-11(10)16-2/h3-4,7-8,12-13H,5-6,15H2,1-2H3
InChIKeyUOIZNTUMLJICMG-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.88
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-chloro-2-methoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methanamine 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

(5-chloro-2-methoxyphenyl)-(1,4-oxathian-2-yl)methanamine
CID 79963116
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 116937310
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107001396
(S)-(5-chloro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 171244638
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 130039782
(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 66511237
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 56971852
(5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105140994
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107178190

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methanamine?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methanamine (CID 115386747) is (5-chloro-2-methoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methanamine.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methanamine?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methanamine is COc1ccc(Cl)cc1C(N)C1SCCSC1C.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methanamine?
The InChIKey is UOIZNTUMLJICMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOS2/c1-8-13(18-6-5-17-8)12(15)10-7-9(14)3-4-11(10)16-2/h3-4,7-8,12-13H,5-6,15H2,1-2H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methanamine?
(5-chloro-2-methoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methanamine has a molecular weight of 303.88 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methanamine is sourced from PubChem (CID 115386747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).