1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine

C14H21NOS — CID 80626263

IUPAC1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
SMILESCNC(c1ccccc1OC)C1CCCCS1
InChIInChI=1S/C14H21NOS/c1-15-14(13-9-5-6-10-17-13)11-7-3-4-8-12(11)16-2/h3-4,7-8,13-15H,5-6,9-10H2,1-2H3
InChIKeyYIQJKBYNDVWRJI-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.24
Rot. Bonds4

About 1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine

1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine (PubChem CID 80626263) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
PubChem CID80626263
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
SMILESCNC(c1ccccc1OC)C1CCCCS1
InChIInChI=1S/C14H21NOS/c1-15-14(13-9-5-6-10-17-13)11-7-3-4-8-12(11)16-2/h3-4,7-8,13-15H,5-6,9-10H2,1-2H3
InChIKeyYIQJKBYNDVWRJI-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 82769071
1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine
CID 80621667
1-cyclobutyl-1-(2-methoxyphenyl)-N-methylmethanamine
CID 64986514
1-(3-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 80626476
1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105499558
[(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255403
[(2-propan-2-yloxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255493
N-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80621805
N-[(2,4-dimethoxyphenyl)-(thian-2-yl)methyl]ethanamine
CID 80626389
N-methyl-1-(thiolan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 80622016
N-[(5-chloro-2-methoxyphenyl)-(thian-2-yl)methyl]ethanamine
CID 80626589
N-[(2,5-dimethoxyphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 80627902

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine (CID 80626263) is 1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine is CNC(c1ccccc1OC)C1CCCCS1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine?
The InChIKey is YIQJKBYNDVWRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-15-14(13-9-5-6-10-17-13)11-7-3-4-8-12(11)16-2/h3-4,7-8,13-15H,5-6,9-10H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine?
1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine has a molecular weight of 251.39 g/mol, XLogP of 3.24, 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-(thian-2-yl)methanamine is sourced from PubChem (CID 80626263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).