(E)-N-methyl-4-phenoxybut-2-en-1-amine

C11H15NO — CID 112547311

IUPAC(E)-N-methyl-4-phenoxybut-2-en-1-amine
SMILESCNC/C=C/COc1ccccc1
InChIInChI=1S/C11H15NO/c1-12-9-5-6-10-13-11-7-3-2-4-8-11/h2-8,12H,9-10H2,1H3/b6-5+
InChIKeyPAEQXLDGOKDLQN-AATRIKPKSA-N
MW177.25 g/mol
LogP1.84
Rot. Bonds5

About (E)-N-methyl-4-phenoxybut-2-en-1-amine

(E)-N-methyl-4-phenoxybut-2-en-1-amine (PubChem CID 112547311) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (E)-N-methyl-4-phenoxybut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-4-phenoxybut-2-en-1-amine
PubChem CID112547311
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(E)-N-methyl-4-phenoxybut-2-en-1-amine
SMILESCNC/C=C/COc1ccccc1
InChIInChI=1S/C11H15NO/c1-12-9-5-6-10-13-11-7-3-2-4-8-11/h2-8,12H,9-10H2,1H3/b6-5+
InChIKeyPAEQXLDGOKDLQN-AATRIKPKSA-N
XLogP1.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-(4-methylphenoxy)but-2-en-1-amine
CID 171158072
4-(3-fluorophenoxy)-N-methylbut-2-en-1-amine
CID 171158074
but-2-enoxybenzene
CID 564963
4-phenoxybut-2-en-1-amine
CID 68864521
hexa-2,4-dienoxybenzene;titanium
CID 87665934
triethyl(3-phenoxyprop-1-enyl)silane
CID 23265308
N-methyl-N-[(E)-4-phenoxybut-2-enyl]benzeneamine oxide
CID 10516125
1-methyl-2-(3-phenoxyprop-1-enyl)benzene
CID 174574360
(E)-3-ethyl-6-phenoxyhex-4-en-3-ol
CID 15356978
ethane;[(2Z,4Z)-hepta-2,4,6-trienoxy]benzene
CID 142113117
CID 174846151
CID 174846151
1-methoxy-4-(3-phenoxyprop-1-enyl)benzene
CID 67215625

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-4-phenoxybut-2-en-1-amine?
The IUPAC name of (E)-N-methyl-4-phenoxybut-2-en-1-amine (CID 112547311) is (E)-N-methyl-4-phenoxybut-2-en-1-amine.
What is the SMILES notation for (E)-N-methyl-4-phenoxybut-2-en-1-amine?
The canonical SMILES for (E)-N-methyl-4-phenoxybut-2-en-1-amine is CNC/C=C/COc1ccccc1.
What is the InChIKey of (E)-N-methyl-4-phenoxybut-2-en-1-amine?
The InChIKey is PAEQXLDGOKDLQN-AATRIKPKSA-N. The full InChI is InChI=1S/C11H15NO/c1-12-9-5-6-10-13-11-7-3-2-4-8-11/h2-8,12H,9-10H2,1H3/b6-5+.
What are the key properties of (E)-N-methyl-4-phenoxybut-2-en-1-amine?
(E)-N-methyl-4-phenoxybut-2-en-1-amine has a molecular weight of 177.25 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-4-phenoxybut-2-en-1-amine is sourced from PubChem (CID 112547311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).