1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine

C15H23NO — CID 65016935

IUPAC1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine
SMILESCCOc1ccc(C2(N)CC(C(C)C)C2)cc1
InChIInChI=1S/C15H23NO/c1-4-17-14-7-5-13(6-8-14)15(16)9-12(10-15)11(2)3/h5-8,11-12H,4,9-10,16H2,1-3H3
InChIKeyVIGUQHBIBBTNMG-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.31
Rot. Bonds4

About 1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine

1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine (PubChem CID 65016935) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine
PubChem CID65016935
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine
SMILESCCOc1ccc(C2(N)CC(C(C)C)C2)cc1
InChIInChI=1S/C15H23NO/c1-4-17-14-7-5-13(6-8-14)15(16)9-12(10-15)11(2)3/h5-8,11-12H,4,9-10,16H2,1-3H3
InChIKeyVIGUQHBIBBTNMG-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine (CID 65016935) is 1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine is CCOc1ccc(C2(N)CC(C(C)C)C2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is VIGUQHBIBBTNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-17-14-7-5-13(6-8-14)15(16)9-12(10-15)11(2)3/h5-8,11-12H,4,9-10,16H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine?
1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 65016935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).