N-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine

C15H23NS — CID 105092320

IUPACN-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine
SMILESCNC(CC1CCSCC1)c1ccc(C)cc1
InChIInChI=1S/C15H23NS/c1-12-3-5-14(6-4-12)15(16-2)11-13-7-9-17-10-8-13/h3-6,13,15-16H,7-11H2,1-2H3
InChIKeyXMLLASYNEFNPAG-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.79
Rot. Bonds4

About N-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine

N-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine (PubChem CID 105092320) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine
PubChem CID105092320
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine
SMILESCNC(CC1CCSCC1)c1ccc(C)cc1
InChIInChI=1S/C15H23NS/c1-12-3-5-14(6-4-12)15(16-2)11-13-7-9-17-10-8-13/h3-6,13,15-16H,7-11H2,1-2H3
InChIKeyXMLLASYNEFNPAG-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-phenyl-2-(thian-4-yl)ethanamine
CID 105083854
1-(4-cyclopropyloxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105188443
N-methyl-1-(4-methylphenyl)-2-piperidin-4-ylethanamine
CID 116951785
N-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine
CID 105153997
1-(3,4-dimethoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105141218
N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine
CID 102840644
1-(4-methylphenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115720001
N-methyl-1-(4-methylphenyl)-2-piperidin-3-ylethanamine
CID 116951716
(1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine
CID 90212789
N-methyl-1-quinolin-3-yl-2-(thian-4-yl)ethanamine
CID 105097613
[1-(4-fluorophenyl)-2-(thian-4-yl)ethyl]hydrazine
CID 105284174
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-(thian-4-yl)ethanamine
CID 102757909

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine (CID 105092320) is N-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine is CNC(CC1CCSCC1)c1ccc(C)cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine?
The InChIKey is XMLLASYNEFNPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-12-3-5-14(6-4-12)15(16-2)11-13-7-9-17-10-8-13/h3-6,13,15-16H,7-11H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine?
N-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine has a molecular weight of 249.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 105092320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).