1-(4-tert-butylphenyl)-N-methoxyethenamine

C13H19NO — CID 57314187

IUPAC1-(4-tert-butylphenyl)-N-methoxyethenamine
SMILESC=C(NOC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H19NO/c1-10(14-15-5)11-6-8-12(9-7-11)13(2,3)4/h6-9,14H,1H2,2-5H3
InChIKeyMZDPDZKTBSDLKV-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.11
Rot. Bonds3

About 1-(4-tert-butylphenyl)-N-methoxyethenamine

1-(4-tert-butylphenyl)-N-methoxyethenamine (PubChem CID 57314187) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-methoxyethenamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-methoxyethenamine
PubChem CID57314187
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(4-tert-butylphenyl)-N-methoxyethenamine
SMILESC=C(NOC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H19NO/c1-10(14-15-5)11-6-8-12(9-7-11)13(2,3)4/h6-9,14H,1H2,2-5H3
InChIKeyMZDPDZKTBSDLKV-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-methoxyethenamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-methoxyethenamine (CID 57314187) is 1-(4-tert-butylphenyl)-N-methoxyethenamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-methoxyethenamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-methoxyethenamine is C=C(NOC)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-methoxyethenamine?
The InChIKey is MZDPDZKTBSDLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(14-15-5)11-6-8-12(9-7-11)13(2,3)4/h6-9,14H,1H2,2-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-methoxyethenamine?
1-(4-tert-butylphenyl)-N-methoxyethenamine has a molecular weight of 205.30 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 1-(4-tert-butylphenyl)-N-methoxyethenamine is sourced from PubChem (CID 57314187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).