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

C16H25NOS — CID 105115477

IUPAC1-(4-methoxy-2-methylphenyl)-N-methyl-2-(thian-4-yl)ethanamine
SMILESCNC(CC1CCSCC1)c1ccc(OC)cc1C
InChIInChI=1S/C16H25NOS/c1-12-10-14(18-3)4-5-15(12)16(17-2)11-13-6-8-19-9-7-13/h4-5,10,13,16-17H,6-9,11H2,1-3H3
InChIKeyFKYFAMZRVSORPU-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.80
Rot. Bonds5

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

1-(4-methoxy-2-methylphenyl)-N-methyl-2-(thian-4-yl)ethanamine (PubChem CID 105115477) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-N-methyl-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-N-methyl-2-(thian-4-yl)ethanamine
PubChem CID105115477
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name1-(4-methoxy-2-methylphenyl)-N-methyl-2-(thian-4-yl)ethanamine
SMILESCNC(CC1CCSCC1)c1ccc(OC)cc1C
InChIInChI=1S/C16H25NOS/c1-12-10-14(18-3)4-5-15(12)16(17-2)11-13-6-8-19-9-7-13/h4-5,10,13,16-17H,6-9,11H2,1-3H3
InChIKeyFKYFAMZRVSORPU-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-(thian-4-yl)ethanamine
CID 102757909
[2-cyclobutyl-1-(4-methoxy-2-methylphenyl)ethyl]hydrazine
CID 103170431
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105176539
N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine
CID 102840644
1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846581
1-(3,4-dimethoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105141218
1-(4-cyclopropyloxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105188443
1-(2-bromo-5-methoxyphenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105150997
N-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine
CID 105092320
1-(4-methoxy-2-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43482745
1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 55091680
1-(4-methoxy-2-methylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43482757

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-N-methyl-2-(thian-4-yl)ethanamine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-N-methyl-2-(thian-4-yl)ethanamine (CID 105115477) is 1-(4-methoxy-2-methylphenyl)-N-methyl-2-(thian-4-yl)ethanamine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-N-methyl-2-(thian-4-yl)ethanamine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-N-methyl-2-(thian-4-yl)ethanamine is CNC(CC1CCSCC1)c1ccc(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-N-methyl-2-(thian-4-yl)ethanamine?
The InChIKey is FKYFAMZRVSORPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-12-10-14(18-3)4-5-15(12)16(17-2)11-13-6-8-19-9-7-13/h4-5,10,13,16-17H,6-9,11H2,1-3H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-N-methyl-2-(thian-4-yl)ethanamine?
1-(4-methoxy-2-methylphenyl)-N-methyl-2-(thian-4-yl)ethanamine has a molecular weight of 279.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-N-methyl-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 105115477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).