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

C14H21NOS2 — CID 113299540

IUPAC1-(3-methoxyphenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
SMILESCNC(c1cccc(OC)c1)C1SCCSC1C
InChIInChI=1S/C14H21NOS2/c1-10-14(18-8-7-17-10)13(15-2)11-5-4-6-12(9-11)16-3/h4-6,9-10,13-15H,7-8H2,1-3H3
InChIKeyLVIWGTLLXJQLKG-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.19
Rot. Bonds4

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

1-(3-methoxyphenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine (PubChem CID 113299540) has the molecular formula C14H21NOS2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
PubChem CID113299540
Molecular FormulaC14H21NOS2
Molecular Weight283.46 g/mol
Exact Mass283.11
IUPAC Name1-(3-methoxyphenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
SMILESCNC(c1cccc(OC)c1)C1SCCSC1C
InChIInChI=1S/C14H21NOS2/c1-10-14(18-8-7-17-10)13(15-2)11-5-4-6-12(9-11)16-3/h4-6,9-10,13-15H,7-8H2,1-3H3
InChIKeyLVIWGTLLXJQLKG-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 80626476
2-[(3-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-ol
CID 21317833
2-(3-methoxyphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol
CID 113299385
1-(3-methoxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 115785256
N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 115386985
N-[(3-methyl-1,4-dithian-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 115387103
1-(2,3-dichlorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
CID 113299545
N-methyl-1-(3-propan-2-yloxyphenyl)-1-(thiolan-2-yl)methanamine
CID 80622143
N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(1-methylpyrazol-4-yl)methanamine
CID 115386793
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
CID 114730533
N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 115386818
(3-methoxyphenyl)-(thiolan-2-yl)methanamine
CID 80622358

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine (CID 113299540) is 1-(3-methoxyphenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine is CNC(c1cccc(OC)c1)C1SCCSC1C.
What is the InChIKey of 1-(3-methoxyphenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine?
The InChIKey is LVIWGTLLXJQLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS2/c1-10-14(18-8-7-17-10)13(15-2)11-5-4-6-12(9-11)16-3/h4-6,9-10,13-15H,7-8H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine?
1-(3-methoxyphenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine has a molecular weight of 283.46 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine is sourced from PubChem (CID 113299540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).