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

C18H28N2O — CID 61471742

IUPAC3-(4-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
SMILESCOc1ccc(C2CC(NC(C)CN3CCCC3)C2)cc1
InChIInChI=1S/C18H28N2O/c1-14(13-20-9-3-4-10-20)19-17-11-16(12-17)15-5-7-18(21-2)8-6-15/h5-8,14,16-17,19H,3-4,9-13H2,1-2H3
InChIKeyZVHNJIKZOYXBGG-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.02
Rot. Bonds6

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

3-(4-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine (PubChem CID 61471742) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
PubChem CID61471742
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-(4-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
SMILESCOc1ccc(C2CC(NC(C)CN3CCCC3)C2)cc1
InChIInChI=1S/C18H28N2O/c1-14(13-20-9-3-4-10-20)19-17-11-16(12-17)15-5-7-18(21-2)8-6-15/h5-8,14,16-17,19H,3-4,9-13H2,1-2H3
InChIKeyZVHNJIKZOYXBGG-UHFFFAOYSA-N
XLogP3.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 43749167
3-phenyl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61472261
N-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 62199823
3-(3-fluorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61471822
N-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 81395845
3-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 43749174
3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)cyclobutan-1-amine
CID 43675913
3-propan-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 103561795
N-[3-(4-methoxyphenyl)cyclobutyl]piperidin-1-amine
CID 83007160
7-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510447
3-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 43692803
N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749138

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine (CID 61471742) is 3-(4-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine is COc1ccc(C2CC(NC(C)CN3CCCC3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine?
The InChIKey is ZVHNJIKZOYXBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(13-20-9-3-4-10-20)19-17-11-16(12-17)15-5-7-18(21-2)8-6-15/h5-8,14,16-17,19H,3-4,9-13H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine?
3-(4-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 3.02, 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-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 61471742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).