1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine

C13H19NOS — CID 105499558

IUPAC1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
SMILESCNC(c1ccccc1OC)C1CCSC1
InChIInChI=1S/C13H19NOS/c1-14-13(10-7-8-16-9-10)11-5-3-4-6-12(11)15-2/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyAFFBNMVSZCVXDL-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.71
Rot. Bonds4

About 1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine

1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine (PubChem CID 105499558) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
PubChem CID105499558
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
SMILESCNC(c1ccccc1OC)C1CCSC1
InChIInChI=1S/C13H19NOS/c1-14-13(10-7-8-16-9-10)11-5-3-4-6-12(11)15-2/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyAFFBNMVSZCVXDL-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-1-(2-methoxyphenyl)-N-methylmethanamine
CID 64986514
(2-methoxyphenyl)-(thiolan-3-yl)methanol
CID 105078522
1-(2,4-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105143702
1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 80626263
N-[[2-(2-methoxyethoxy)phenyl]-(thiolan-3-yl)methyl]propan-1-amine
CID 105180504
1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105149389
1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105140321
1-(4-ethoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105140814
2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol
CID 117237270
[(2-methoxyphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105191189
3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine
CID 117237766
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105167402

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine (CID 105499558) is 1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine is CNC(c1ccccc1OC)C1CCSC1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine?
The InChIKey is AFFBNMVSZCVXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-14-13(10-7-8-16-9-10)11-5-3-4-6-12(11)15-2/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine?
1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine has a molecular weight of 237.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine is sourced from PubChem (CID 105499558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).