N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine

C18H27NO — CID 103273516

IUPACN-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine
SMILESCC(C)c1cccc(OC2(CCNC3CC3)CCC2)c1
InChIInChI=1S/C18H27NO/c1-14(2)15-5-3-6-17(13-15)20-18(9-4-10-18)11-12-19-16-7-8-16/h3,5-6,13-14,16,19H,4,7-12H2,1-2H3
InChIKeyUMSARYLICXNNDG-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.25
Rot. Bonds7

About N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine

N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine (PubChem CID 103273516) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine
PubChem CID103273516
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine
SMILESCC(C)c1cccc(OC2(CCNC3CC3)CCC2)c1
InChIInChI=1S/C18H27NO/c1-14(2)15-5-3-6-17(13-15)20-18(9-4-10-18)11-12-19-16-7-8-16/h3,5-6,13-14,16,19H,4,7-12H2,1-2H3
InChIKeyUMSARYLICXNNDG-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine 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 N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine (CID 103273516) is N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine is CC(C)c1cccc(OC2(CCNC3CC3)CCC2)c1.
What is the InChIKey of N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
The InChIKey is UMSARYLICXNNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-14(2)15-5-3-6-17(13-15)20-18(9-4-10-18)11-12-19-16-7-8-16/h3,5-6,13-14,16,19H,4,7-12H2,1-2H3.
What are the key properties of N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine is sourced from PubChem (CID 103273516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).