1-[4-(2-methoxy-2-methylpropyl)phenyl]ethanamine

C13H21NO — CID 117110911

IUPAC1-[4-(2-methoxy-2-methylpropyl)phenyl]ethanamine
SMILESCOC(C)(C)Cc1ccc(C(C)N)cc1
InChIInChI=1S/C13H21NO/c1-10(14)12-7-5-11(6-8-12)9-13(2,3)15-4/h5-8,10H,9,14H2,1-4H3
InChIKeyQOQMZYNHFVIGAZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.67
Rot. Bonds4

About 1-[4-(2-methoxy-2-methylpropyl)phenyl]ethanamine

1-[4-(2-methoxy-2-methylpropyl)phenyl]ethanamine (PubChem CID 117110911) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[4-(2-methoxy-2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-methoxy-2-methylpropyl)phenyl]ethanamine
PubChem CID117110911
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-[4-(2-methoxy-2-methylpropyl)phenyl]ethanamine
SMILESCOC(C)(C)Cc1ccc(C(C)N)cc1
InChIInChI=1S/C13H21NO/c1-10(14)12-7-5-11(6-8-12)9-13(2,3)15-4/h5-8,10H,9,14H2,1-4H3
InChIKeyQOQMZYNHFVIGAZ-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxy-2-methylpropyl)phenyl]ethanamine?
The IUPAC name of 1-[4-(2-methoxy-2-methylpropyl)phenyl]ethanamine (CID 117110911) is 1-[4-(2-methoxy-2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(2-methoxy-2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(2-methoxy-2-methylpropyl)phenyl]ethanamine is COC(C)(C)Cc1ccc(C(C)N)cc1.
What is the InChIKey of 1-[4-(2-methoxy-2-methylpropyl)phenyl]ethanamine?
The InChIKey is QOQMZYNHFVIGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(14)12-7-5-11(6-8-12)9-13(2,3)15-4/h5-8,10H,9,14H2,1-4H3.
What are the key properties of 1-[4-(2-methoxy-2-methylpropyl)phenyl]ethanamine?
1-[4-(2-methoxy-2-methylpropyl)phenyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxy-2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 117110911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).