1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine

C15H19NO2S — CID 55095413

IUPAC1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine
SMILESCOc1ccc(CC(N)Cc2ccsc2)cc1OC
InChIInChI=1S/C15H19NO2S/c1-17-14-4-3-11(9-15(14)18-2)7-13(16)8-12-5-6-19-10-12/h3-6,9-10,13H,7-8,16H2,1-2H3
InChIKeyBEALJOFCRVEGRO-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.88
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine

1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine (PubChem CID 55095413) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine
PubChem CID55095413
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine
SMILESCOc1ccc(CC(N)Cc2ccsc2)cc1OC
InChIInChI=1S/C15H19NO2S/c1-17-14-4-3-11(9-15(14)18-2)7-13(16)8-12-5-6-19-10-12/h3-6,9-10,13H,7-8,16H2,1-2H3
InChIKeyBEALJOFCRVEGRO-UHFFFAOYSA-N
XLogP2.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]butan-2-amine
CID 60906591
2-(3,4-dimethoxyphenyl)ethyl-(thiophen-3-ylmethyl)azanium
CID 7263987
2-thiophen-3-yl-1-(2,3,4-trimethoxyphenyl)ethanamine
CID 61079011
1-(3-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 80529864
2-(3,4-dimethoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 23935467
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
2-(3-bromo-4-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 54971373
2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751
1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
CID 60908354
3-methoxy-4-(thiophen-3-ylmethoxy)aniline
CID 62110785
2-thiophen-3-yl-1-(2,4,6-trimethoxyphenyl)ethanol
CID 65151106
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(thiophen-3-ylmethyl)methanamine
CID 60760352

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine (CID 55095413) is 1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine is COc1ccc(CC(N)Cc2ccsc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine?
The InChIKey is BEALJOFCRVEGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-17-14-4-3-11(9-15(14)18-2)7-13(16)8-12-5-6-19-10-12/h3-6,9-10,13H,7-8,16H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine?
1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine has a molecular weight of 277.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 55095413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).