3-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine

C18H23NOS — CID 43692803

IUPAC3-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
SMILESCOc1ccc(C2CC(NC(C)Cc3cccs3)C2)cc1
InChIInChI=1S/C18H23NOS/c1-13(10-18-4-3-9-21-18)19-16-11-15(12-16)14-5-7-17(20-2)8-6-14/h3-9,13,15-16,19H,10-12H2,1-2H3
InChIKeyIAJJOQXZKDUHOI-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.22
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine

3-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine (PubChem CID 43692803) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
PubChem CID43692803
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name3-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
SMILESCOc1ccc(C2CC(NC(C)Cc3cccs3)C2)cc1
InChIInChI=1S/C18H23NOS/c1-13(10-18-4-3-9-21-18)19-16-11-15(12-16)14-5-7-17(20-2)8-6-14/h3-9,13,15-16,19H,10-12H2,1-2H3
InChIKeyIAJJOQXZKDUHOI-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-thiophen-2-ylpropan-2-yl)cyclopropanamine
CID 82262604
N-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 62199823
3-(4-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61471742
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43783067
4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol
CID 103904586
1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine
CID 43692687
N-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 81395845
4-propyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine
CID 43432822
4-methyl-N-(1-thiophen-2-ylpropan-2-yl)cycloheptan-1-amine
CID 65081242
1,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
CID 81302365
2-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)azepane-1-carboxamide
CID 112837697
1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
CID 43635449

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine (CID 43692803) is 3-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine is COc1ccc(C2CC(NC(C)Cc3cccs3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine?
The InChIKey is IAJJOQXZKDUHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-13(10-18-4-3-9-21-18)19-16-11-15(12-16)14-5-7-17(20-2)8-6-14/h3-9,13,15-16,19H,10-12H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine?
3-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine has a molecular weight of 301.46 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 43692803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).