N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine

C14H18F3NOS2 — CID 115386818

IUPACN-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1ccccc1OC(F)(F)F)C1SCCSC1C
InChIInChI=1S/C14H18F3NOS2/c1-9-13(21-8-7-20-9)12(18-2)10-5-3-4-6-11(10)19-14(15,16)17/h3-6,9,12-13,18H,7-8H2,1-2H3
InChIKeyCOWOPFMQUNVRCB-UHFFFAOYSA-N
MW337.43 g/mol
LogP4.08
Rot. Bonds4

About N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine

N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine (PubChem CID 115386818) has the molecular formula C14H18F3NOS2 and a molecular weight of 337.43 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
PubChem CID115386818
Molecular FormulaC14H18F3NOS2
Molecular Weight337.43 g/mol
Exact Mass337.08
IUPAC NameN-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1ccccc1OC(F)(F)F)C1SCCSC1C
InChIInChI=1S/C14H18F3NOS2/c1-9-13(21-8-7-20-9)12(18-2)10-5-3-4-6-11(10)19-14(15,16)17/h3-6,9,12-13,18H,7-8H2,1-2H3
InChIKeyCOWOPFMQUNVRCB-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-[2-(trifluoromethoxy)phenyl]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

1-(2,3-dichlorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
CID 113299545
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850777
N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(2,3,4-trifluorophenyl)methanamine
CID 115386909
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
CID 114746006
1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 80626263
N-methyl-1-(4-methylmorpholin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 79094970
[(3-methyl-1,4-dithian-2-yl)-(2-methylphenyl)methyl]hydrazine
CID 105259440
2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 79492226
1-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 63084391
1-(1,4-dithian-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 79966542
N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 62790932
(2-methylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 65420822

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine (CID 115386818) is N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine is CNC(c1ccccc1OC(F)(F)F)C1SCCSC1C.
What is the InChIKey of N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is COWOPFMQUNVRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NOS2/c1-9-13(21-8-7-20-9)12(18-2)10-5-3-4-6-11(10)19-14(15,16)17/h3-6,9,12-13,18H,7-8H2,1-2H3.
What are the key properties of N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine?
N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 337.43 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 115386818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).