2-(5-tert-butyl-2-methylphenyl)-2-methoxypropan-1-amine

C15H25NO — CID 82291390

IUPAC2-(5-tert-butyl-2-methylphenyl)-2-methoxypropan-1-amine
SMILESCOC(C)(CN)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C15H25NO/c1-11-7-8-12(14(2,3)4)9-13(11)15(5,10-16)17-6/h7-9H,10,16H2,1-6H3
InChIKeyFIYYSNLDIJTNJC-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.11
Rot. Bonds3

About 2-(5-tert-butyl-2-methylphenyl)-2-methoxypropan-1-amine

2-(5-tert-butyl-2-methylphenyl)-2-methoxypropan-1-amine (PubChem CID 82291390) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methylphenyl)-2-methoxypropan-1-amine.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methylphenyl)-2-methoxypropan-1-amine
PubChem CID82291390
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(5-tert-butyl-2-methylphenyl)-2-methoxypropan-1-amine
SMILESCOC(C)(CN)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C15H25NO/c1-11-7-8-12(14(2,3)4)9-13(11)15(5,10-16)17-6/h7-9H,10,16H2,1-6H3
InChIKeyFIYYSNLDIJTNJC-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methylphenyl)-2-methoxypropan-1-amine?
The IUPAC name of 2-(5-tert-butyl-2-methylphenyl)-2-methoxypropan-1-amine (CID 82291390) is 2-(5-tert-butyl-2-methylphenyl)-2-methoxypropan-1-amine.
What is the SMILES notation for 2-(5-tert-butyl-2-methylphenyl)-2-methoxypropan-1-amine?
The canonical SMILES for 2-(5-tert-butyl-2-methylphenyl)-2-methoxypropan-1-amine is COC(C)(CN)c1cc(C(C)(C)C)ccc1C.
What is the InChIKey of 2-(5-tert-butyl-2-methylphenyl)-2-methoxypropan-1-amine?
The InChIKey is FIYYSNLDIJTNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11-7-8-12(14(2,3)4)9-13(11)15(5,10-16)17-6/h7-9H,10,16H2,1-6H3.
What are the key properties of 2-(5-tert-butyl-2-methylphenyl)-2-methoxypropan-1-amine?
2-(5-tert-butyl-2-methylphenyl)-2-methoxypropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methylphenyl)-2-methoxypropan-1-amine is sourced from PubChem (CID 82291390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).