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

C18H27NO — CID 103273773

IUPACN-[2-[1-(2-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine
SMILESCC(C)c1ccccc1OC1(CCNC2CC2)CCC1
InChIInChI=1S/C18H27NO/c1-14(2)16-6-3-4-7-17(16)20-18(10-5-11-18)12-13-19-15-8-9-15/h3-4,6-7,14-15,19H,5,8-13H2,1-2H3
InChIKeyVHKYGWOBSXZFHJ-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.25
Rot. Bonds7

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

N-[2-[1-(2-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine (PubChem CID 103273773) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-[1-(2-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[1-(2-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine
PubChem CID103273773
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[2-[1-(2-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine
SMILESCC(C)c1ccccc1OC1(CCNC2CC2)CCC1
InChIInChI=1S/C18H27NO/c1-14(2)16-6-3-4-7-17(16)20-18(10-5-11-18)12-13-19-15-8-9-15/h3-4,6-7,14-15,19H,5,8-13H2,1-2H3
InChIKeyVHKYGWOBSXZFHJ-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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[1-(2-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine (CID 103273773) is N-[2-[1-(2-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[1-(2-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[1-(2-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine is CC(C)c1ccccc1OC1(CCNC2CC2)CCC1.
What is the InChIKey of N-[2-[1-(2-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
The InChIKey is VHKYGWOBSXZFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-14(2)16-6-3-4-7-17(16)20-18(10-5-11-18)12-13-19-15-8-9-15/h3-4,6-7,14-15,19H,5,8-13H2,1-2H3.
What are the key properties of N-[2-[1-(2-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine?
N-[2-[1-(2-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-(2-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine is sourced from PubChem (CID 103273773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).