1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine

C17H23NOS — CID 43692687

IUPAC1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine
SMILESCCC(NC(C)Cc1cccs1)c1ccc(OC)cc1
InChIInChI=1S/C17H23NOS/c1-4-17(14-7-9-15(19-3)10-8-14)18-13(2)12-16-6-5-11-20-16/h5-11,13,17-18H,4,12H2,1-3H3
InChIKeyZRPDBGXKZMMIBW-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.43
Rot. Bonds7

About 1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine

1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine (PubChem CID 43692687) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine
PubChem CID43692687
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine
SMILESCCC(NC(C)Cc1cccs1)c1ccc(OC)cc1
InChIInChI=1S/C17H23NOS/c1-4-17(14-7-9-15(19-3)10-8-14)18-13(2)12-16-6-5-11-20-16/h5-11,13,17-18H,4,12H2,1-3H3
InChIKeyZRPDBGXKZMMIBW-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43783067
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide
CID 31932218
1-(3-fluorophenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine
CID 114871253
N-[1-(4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 43692689
1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
CID 103789006
N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774226
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene
CID 67595197
5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol
CID 43692623

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine (CID 43692687) is 1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine is CCC(NC(C)Cc1cccs1)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine?
The InChIKey is ZRPDBGXKZMMIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-4-17(14-7-9-15(19-3)10-8-14)18-13(2)12-16-6-5-11-20-16/h5-11,13,17-18H,4,12H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine?
1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine is sourced from PubChem (CID 43692687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).