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

C15H19NO2S — CID 115861031

IUPAC1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-amine
SMILESCOc1ccc(C(N)CCc2cccs2)c(OC)c1
InChIInChI=1S/C15H19NO2S/c1-17-11-5-7-13(15(10-11)18-2)14(16)8-6-12-4-3-9-19-12/h3-5,7,9-10,14H,6,8,16H2,1-2H3
InChIKeyBVACRBXRWDSRJH-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.40
Rot. Bonds6

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

1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 115861031) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-amine
PubChem CID115861031
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-amine
SMILESCOc1ccc(C(N)CCc2cccs2)c(OC)c1
InChIInChI=1S/C15H19NO2S/c1-17-11-5-7-13(15(10-11)18-2)14(16)8-6-12-4-3-9-19-12/h3-5,7,9-10,14H,6,8,16H2,1-2H3
InChIKeyBVACRBXRWDSRJH-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308893
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093
1-(2,4-dimethoxyphenyl)-2-thiophen-2-ylsulfanylethanamine
CID 64615696
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105145160
(1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171220642
(1S)-1-[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]ethanol
CID 82002105
1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine
CID 62802951
1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine
CID 61077956
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-amine (CID 115861031) is 1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-amine is COc1ccc(C(N)CCc2cccs2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is BVACRBXRWDSRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-17-11-5-7-13(15(10-11)18-2)14(16)8-6-12-4-3-9-19-12/h3-5,7,9-10,14H,6,8,16H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-amine?
1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 277.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115861031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).