1-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)ethanamine

C15H25NO — CID 82266125

IUPAC1-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)ethanamine
SMILESCc1cc(OC(C)C)c(C(C)C)cc1C(C)N
InChIInChI=1S/C15H25NO/c1-9(2)13-8-14(12(6)16)11(5)7-15(13)17-10(3)4/h7-10,12H,16H2,1-6H3
InChIKeyFIUYYXZKFQWZFF-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.93
Rot. Bonds4

About 1-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)ethanamine

1-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)ethanamine (PubChem CID 82266125) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)ethanamine
PubChem CID82266125
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)ethanamine
SMILESCc1cc(OC(C)C)c(C(C)C)cc1C(C)N
InChIInChI=1S/C15H25NO/c1-9(2)13-8-14(12(6)16)11(5)7-15(13)17-10(3)4/h7-10,12H,16H2,1-6H3
InChIKeyFIUYYXZKFQWZFF-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 1-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)ethanamine (CID 82266125) is 1-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 1-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 1-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)ethanamine is Cc1cc(OC(C)C)c(C(C)C)cc1C(C)N.
What is the InChIKey of 1-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is FIUYYXZKFQWZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-9(2)13-8-14(12(6)16)11(5)7-15(13)17-10(3)4/h7-10,12H,16H2,1-6H3.
What are the key properties of 1-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)ethanamine?
1-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 82266125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).