1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine

C16H21NO3S — CID 107784147

IUPAC1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine
SMILESCNC(CSc1ccoc1C)c1ccc(OC)cc1OC
InChIInChI=1S/C16H21NO3S/c1-11-16(7-8-20-11)21-10-14(17-2)13-6-5-12(18-3)9-15(13)19-4/h5-9,14,17H,10H2,1-4H3
InChIKeyYVFLZMJOFJIEHP-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.66
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine

1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine (PubChem CID 107784147) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine
PubChem CID107784147
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine
SMILESCNC(CSc1ccoc1C)c1ccc(OC)cc1OC
InChIInChI=1S/C16H21NO3S/c1-11-16(7-8-20-11)21-10-14(17-2)13-6-5-12(18-3)9-15(13)19-4/h5-9,14,17H,10H2,1-4H3
InChIKeyYVFLZMJOFJIEHP-UHFFFAOYSA-N
XLogP3.66
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927417
1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 64650748
N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-(4-methylphenyl)ethanamine
CID 107784202
1-(2,5-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927797
(2,4-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61086779
4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol
CID 116952940
1-(2,4-dimethoxyphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927222
1-(2,4-dimethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 114819922
1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
CID 114752343
1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64627721
1-(2,4-dimethoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 19439911
1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115863936

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine (CID 107784147) is 1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine is CNC(CSc1ccoc1C)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine?
The InChIKey is YVFLZMJOFJIEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-11-16(7-8-20-11)21-10-14(17-2)13-6-5-12(18-3)9-15(13)19-4/h5-9,14,17H,10H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine?
1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine has a molecular weight of 307.42 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine is sourced from PubChem (CID 107784147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).