(Z)-2-methoxy-1-phenylethenamine

C9H11NO — CID 142174044

IUPAC(Z)-2-methoxy-1-phenylethenamine
SMILESCO/C=C(\N)c1ccccc1
InChIInChI=1S/C9H11NO/c1-11-7-9(10)8-5-3-2-4-6-8/h2-7H,10H2,1H3/b9-7-
InChIKeyXMMPCJDJRIPGPN-CLFYSBASSA-N
MW149.19 g/mol
LogP1.59
Rot. Bonds2

About (Z)-2-methoxy-1-phenylethenamine

(Z)-2-methoxy-1-phenylethenamine (PubChem CID 142174044) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (Z)-2-methoxy-1-phenylethenamine.

Molecular Properties

Compound Name(Z)-2-methoxy-1-phenylethenamine
PubChem CID142174044
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(Z)-2-methoxy-1-phenylethenamine
SMILESCO/C=C(\N)c1ccccc1
InChIInChI=1S/C9H11NO/c1-11-7-9(10)8-5-3-2-4-6-8/h2-7H,10H2,1H3/b9-7-
InChIKeyXMMPCJDJRIPGPN-CLFYSBASSA-N
XLogP1.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methoxy-1-phenylethenamine?
The IUPAC name of (Z)-2-methoxy-1-phenylethenamine (CID 142174044) is (Z)-2-methoxy-1-phenylethenamine.
What is the SMILES notation for (Z)-2-methoxy-1-phenylethenamine?
The canonical SMILES for (Z)-2-methoxy-1-phenylethenamine is CO/C=C(\N)c1ccccc1.
What is the InChIKey of (Z)-2-methoxy-1-phenylethenamine?
The InChIKey is XMMPCJDJRIPGPN-CLFYSBASSA-N. The full InChI is InChI=1S/C9H11NO/c1-11-7-9(10)8-5-3-2-4-6-8/h2-7H,10H2,1H3/b9-7-.
What are the key properties of (Z)-2-methoxy-1-phenylethenamine?
(Z)-2-methoxy-1-phenylethenamine has a molecular weight of 149.19 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methoxy-1-phenylethenamine is sourced from PubChem (CID 142174044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).