N-methyl-2-(3-methylphenyl)-1-(thian-2-yl)ethanamine

C15H23NS — CID 80627266

IUPACN-methyl-2-(3-methylphenyl)-1-(thian-2-yl)ethanamine
SMILESCNC(Cc1cccc(C)c1)C1CCCCS1
InChIInChI=1S/C15H23NS/c1-12-6-5-7-13(10-12)11-14(16-2)15-8-3-4-9-17-15/h5-7,10,14-16H,3-4,8-9,11H2,1-2H3
InChIKeySFKHGMGFHIXDSI-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.41
Rot. Bonds4

About N-methyl-2-(3-methylphenyl)-1-(thian-2-yl)ethanamine

N-methyl-2-(3-methylphenyl)-1-(thian-2-yl)ethanamine (PubChem CID 80627266) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-methyl-2-(3-methylphenyl)-1-(thian-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(3-methylphenyl)-1-(thian-2-yl)ethanamine
PubChem CID80627266
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-methyl-2-(3-methylphenyl)-1-(thian-2-yl)ethanamine
SMILESCNC(Cc1cccc(C)c1)C1CCCCS1
InChIInChI=1S/C15H23NS/c1-12-6-5-7-13(10-12)11-14(16-2)15-8-3-4-9-17-15/h5-7,10,14-16H,3-4,8-9,11H2,1-2H3
InChIKeySFKHGMGFHIXDSI-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-pyridin-3-yl-1-(thiolan-2-yl)ethanamine
CID 104736655
(1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine
CID 124509379
2-(4-tert-butylphenyl)-N-methyl-1-(thiolan-2-yl)ethanamine
CID 80622254
N-[2-(3,5-dimethylphenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80626607
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine
CID 102857841
[1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105249241
1-(1,4-dithian-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 79971420
N-methyl-1-(thiolan-2-yl)-2-thiophen-2-ylethanamine
CID 80621899
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine
CID 80627565
[1-(2-methylcyclopentyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 107193333
N-[1-(3-methyl-1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 115387442
[[3-(2-methylpropyl)phenyl]-(thian-2-yl)methyl]hydrazine
CID 105255948

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylphenyl)-1-(thian-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(3-methylphenyl)-1-(thian-2-yl)ethanamine (CID 80627266) is N-methyl-2-(3-methylphenyl)-1-(thian-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(3-methylphenyl)-1-(thian-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(3-methylphenyl)-1-(thian-2-yl)ethanamine is CNC(Cc1cccc(C)c1)C1CCCCS1.
What is the InChIKey of N-methyl-2-(3-methylphenyl)-1-(thian-2-yl)ethanamine?
The InChIKey is SFKHGMGFHIXDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-12-6-5-7-13(10-12)11-14(16-2)15-8-3-4-9-17-15/h5-7,10,14-16H,3-4,8-9,11H2,1-2H3.
What are the key properties of N-methyl-2-(3-methylphenyl)-1-(thian-2-yl)ethanamine?
N-methyl-2-(3-methylphenyl)-1-(thian-2-yl)ethanamine has a molecular weight of 249.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylphenyl)-1-(thian-2-yl)ethanamine is sourced from PubChem (CID 80627266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).