1-methoxy-1-phenyl-N-propyl-4-thiophen-2-ylbutan-2-amine

C18H25NOS — CID 116773230

IUPAC1-methoxy-1-phenyl-N-propyl-4-thiophen-2-ylbutan-2-amine
SMILESCCCNC(CCc1cccs1)C(OC)c1ccccc1
InChIInChI=1S/C18H25NOS/c1-3-13-19-17(12-11-16-10-7-14-21-16)18(20-2)15-8-5-4-6-9-15/h4-10,14,17-19H,3,11-13H2,1-2H3
InChIKeyPZLCZZYVYVTJHY-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.44
Rot. Bonds9

About 1-methoxy-1-phenyl-N-propyl-4-thiophen-2-ylbutan-2-amine

1-methoxy-1-phenyl-N-propyl-4-thiophen-2-ylbutan-2-amine (PubChem CID 116773230) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-methoxy-1-phenyl-N-propyl-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-methoxy-1-phenyl-N-propyl-4-thiophen-2-ylbutan-2-amine
PubChem CID116773230
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name1-methoxy-1-phenyl-N-propyl-4-thiophen-2-ylbutan-2-amine
SMILESCCCNC(CCc1cccs1)C(OC)c1ccccc1
InChIInChI=1S/C18H25NOS/c1-3-13-19-17(12-11-16-10-7-14-21-16)18(20-2)15-8-5-4-6-9-15/h4-10,14,17-19H,3,11-13H2,1-2H3
InChIKeyPZLCZZYVYVTJHY-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dimethoxy-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 79493483
1-cyclopropyl-1-methoxy-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 116722695
1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-amine
CID 116773236
1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine
CID 103031290
2-methyl-N-propyl-6-thiophen-2-ylhexan-3-amine
CID 63775526
3-(furan-2-yl)-1-methoxy-1-phenyl-N-propylpropan-2-amine
CID 116773231
1-methoxy-1-phenyl-N-propylpropan-2-amine
CID 116773234
1-methoxy-4-methylidene-1-phenyl-N-propylhexan-2-amine
CID 116773267
1-methoxy-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 63775708
2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine
CID 81024076
1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115861151
1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63774616

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-phenyl-N-propyl-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-methoxy-1-phenyl-N-propyl-4-thiophen-2-ylbutan-2-amine (CID 116773230) is 1-methoxy-1-phenyl-N-propyl-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-methoxy-1-phenyl-N-propyl-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-methoxy-1-phenyl-N-propyl-4-thiophen-2-ylbutan-2-amine is CCCNC(CCc1cccs1)C(OC)c1ccccc1.
What is the InChIKey of 1-methoxy-1-phenyl-N-propyl-4-thiophen-2-ylbutan-2-amine?
The InChIKey is PZLCZZYVYVTJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-3-13-19-17(12-11-16-10-7-14-21-16)18(20-2)15-8-5-4-6-9-15/h4-10,14,17-19H,3,11-13H2,1-2H3.
What are the key properties of 1-methoxy-1-phenyl-N-propyl-4-thiophen-2-ylbutan-2-amine?
1-methoxy-1-phenyl-N-propyl-4-thiophen-2-ylbutan-2-amine has a molecular weight of 303.47 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-phenyl-N-propyl-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 116773230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).