4-methoxy-1-phenylcyclohexa-2,4-dien-1-amine

C13H15NO — CID 71772709

IUPAC4-methoxy-1-phenylcyclohexa-2,4-dien-1-amine
SMILESCOC1=CCC(N)(c2ccccc2)C=C1
InChIInChI=1S/C13H15NO/c1-15-12-7-9-13(14,10-8-12)11-5-3-2-4-6-11/h2-9H,10,14H2,1H3
InChIKeyOTUWMMLRQVQFCQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.33
Rot. Bonds2

About 4-methoxy-1-phenylcyclohexa-2,4-dien-1-amine

4-methoxy-1-phenylcyclohexa-2,4-dien-1-amine (PubChem CID 71772709) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-methoxy-1-phenylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-methoxy-1-phenylcyclohexa-2,4-dien-1-amine
PubChem CID71772709
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name4-methoxy-1-phenylcyclohexa-2,4-dien-1-amine
SMILESCOC1=CCC(N)(c2ccccc2)C=C1
InChIInChI=1S/C13H15NO/c1-15-12-7-9-13(14,10-8-12)11-5-3-2-4-6-11/h2-9H,10,14H2,1H3
InChIKeyOTUWMMLRQVQFCQ-UHFFFAOYSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-phenylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-methoxy-1-phenylcyclohexa-2,4-dien-1-amine (CID 71772709) is 4-methoxy-1-phenylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-methoxy-1-phenylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-methoxy-1-phenylcyclohexa-2,4-dien-1-amine is COC1=CCC(N)(c2ccccc2)C=C1.
What is the InChIKey of 4-methoxy-1-phenylcyclohexa-2,4-dien-1-amine?
The InChIKey is OTUWMMLRQVQFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-15-12-7-9-13(14,10-8-12)11-5-3-2-4-6-11/h2-9H,10,14H2,1H3.
What are the key properties of 4-methoxy-1-phenylcyclohexa-2,4-dien-1-amine?
4-methoxy-1-phenylcyclohexa-2,4-dien-1-amine has a molecular weight of 201.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-phenylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 71772709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).