2-methyl-N-[[2-(2-propan-2-yloxyphenyl)cyclobutyl]methyl]propan-2-amine

C18H29NO — CID 81017765

IUPAC2-methyl-N-[[2-(2-propan-2-yloxyphenyl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)Oc1ccccc1C1CCC1CNC(C)(C)C
InChIInChI=1S/C18H29NO/c1-13(2)20-17-9-7-6-8-16(17)15-11-10-14(15)12-19-18(3,4)5/h6-9,13-15,19H,10-12H2,1-5H3
InChIKeyIEMUMICLMKBEMB-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.36
Rot. Bonds5

About 2-methyl-N-[[2-(2-propan-2-yloxyphenyl)cyclobutyl]methyl]propan-2-amine

2-methyl-N-[[2-(2-propan-2-yloxyphenyl)cyclobutyl]methyl]propan-2-amine (PubChem CID 81017765) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2-propan-2-yloxyphenyl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2-propan-2-yloxyphenyl)cyclobutyl]methyl]propan-2-amine
PubChem CID81017765
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-methyl-N-[[2-(2-propan-2-yloxyphenyl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)Oc1ccccc1C1CCC1CNC(C)(C)C
InChIInChI=1S/C18H29NO/c1-13(2)20-17-9-7-6-8-16(17)15-11-10-14(15)12-19-18(3,4)5/h6-9,13-15,19H,10-12H2,1-5H3
InChIKeyIEMUMICLMKBEMB-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2-propan-2-yloxyphenyl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(2-propan-2-yloxyphenyl)cyclobutyl]methyl]propan-2-amine (CID 81017765) is 2-methyl-N-[[2-(2-propan-2-yloxyphenyl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2-propan-2-yloxyphenyl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(2-propan-2-yloxyphenyl)cyclobutyl]methyl]propan-2-amine is CC(C)Oc1ccccc1C1CCC1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-(2-propan-2-yloxyphenyl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is IEMUMICLMKBEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13(2)20-17-9-7-6-8-16(17)15-11-10-14(15)12-19-18(3,4)5/h6-9,13-15,19H,10-12H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-(2-propan-2-yloxyphenyl)cyclobutyl]methyl]propan-2-amine?
2-methyl-N-[[2-(2-propan-2-yloxyphenyl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2-propan-2-yloxyphenyl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 81017765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).