[(Z)-2-(methylideneamino)-3-(2-methylphenyl)prop-1-enoxy]methanamine

C12H16N2O — CID 71188155

IUPAC[(Z)-2-(methylideneamino)-3-(2-methylphenyl)prop-1-enoxy]methanamine
SMILESC=N/C(=C\OCN)Cc1ccccc1C
InChIInChI=1S/C12H16N2O/c1-10-5-3-4-6-11(10)7-12(14-2)8-15-9-13/h3-6,8H,2,7,9,13H2,1H3/b12-8-
InChIKeyWQHCRFSCYXZJEZ-WQLSENKSSA-N
MW204.27 g/mol
LogP2.01
Rot. Bonds5

About [(Z)-2-(methylideneamino)-3-(2-methylphenyl)prop-1-enoxy]methanamine

[(Z)-2-(methylideneamino)-3-(2-methylphenyl)prop-1-enoxy]methanamine (PubChem CID 71188155) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is [(Z)-2-(methylideneamino)-3-(2-methylphenyl)prop-1-enoxy]methanamine.

Molecular Properties

Compound Name[(Z)-2-(methylideneamino)-3-(2-methylphenyl)prop-1-enoxy]methanamine
PubChem CID71188155
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name[(Z)-2-(methylideneamino)-3-(2-methylphenyl)prop-1-enoxy]methanamine
SMILESC=N/C(=C\OCN)Cc1ccccc1C
InChIInChI=1S/C12H16N2O/c1-10-5-3-4-6-11(10)7-12(14-2)8-15-9-13/h3-6,8H,2,7,9,13H2,1H3/b12-8-
InChIKeyWQHCRFSCYXZJEZ-WQLSENKSSA-N
XLogP2.01
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-(methylideneamino)-3-(2-methylphenyl)prop-1-enoxy]methanamine?
The IUPAC name of [(Z)-2-(methylideneamino)-3-(2-methylphenyl)prop-1-enoxy]methanamine (CID 71188155) is [(Z)-2-(methylideneamino)-3-(2-methylphenyl)prop-1-enoxy]methanamine.
What is the SMILES notation for [(Z)-2-(methylideneamino)-3-(2-methylphenyl)prop-1-enoxy]methanamine?
The canonical SMILES for [(Z)-2-(methylideneamino)-3-(2-methylphenyl)prop-1-enoxy]methanamine is C=N/C(=C\OCN)Cc1ccccc1C.
What is the InChIKey of [(Z)-2-(methylideneamino)-3-(2-methylphenyl)prop-1-enoxy]methanamine?
The InChIKey is WQHCRFSCYXZJEZ-WQLSENKSSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10-5-3-4-6-11(10)7-12(14-2)8-15-9-13/h3-6,8H,2,7,9,13H2,1H3/b12-8-.
What are the key properties of [(Z)-2-(methylideneamino)-3-(2-methylphenyl)prop-1-enoxy]methanamine?
[(Z)-2-(methylideneamino)-3-(2-methylphenyl)prop-1-enoxy]methanamine has a molecular weight of 204.27 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-(methylideneamino)-3-(2-methylphenyl)prop-1-enoxy]methanamine is sourced from PubChem (CID 71188155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).