2-[[4-(2-phenylethenyl)phenyl]methoxy]cyclohexan-1-amine

C21H25NO — CID 54376655

IUPAC2-[[4-(2-phenylethenyl)phenyl]methoxy]cyclohexan-1-amine
SMILESNC1CCCCC1OCc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C21H25NO/c22-20-8-4-5-9-21(20)23-16-19-14-12-18(13-15-19)11-10-17-6-2-1-3-7-17/h1-3,6-7,10-15,20-21H,4-5,8-9,16,22H2
InChIKeyUWZDYYDUNZPTIV-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.64
Rot. Bonds5

About 2-[[4-(2-phenylethenyl)phenyl]methoxy]cyclohexan-1-amine

2-[[4-(2-phenylethenyl)phenyl]methoxy]cyclohexan-1-amine (PubChem CID 54376655) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-[[4-(2-phenylethenyl)phenyl]methoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[4-(2-phenylethenyl)phenyl]methoxy]cyclohexan-1-amine
PubChem CID54376655
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name2-[[4-(2-phenylethenyl)phenyl]methoxy]cyclohexan-1-amine
SMILESNC1CCCCC1OCc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C21H25NO/c22-20-8-4-5-9-21(20)23-16-19-14-12-18(13-15-19)11-10-17-6-2-1-3-7-17/h1-3,6-7,10-15,20-21H,4-5,8-9,16,22H2
InChIKeyUWZDYYDUNZPTIV-UHFFFAOYSA-N
XLogP4.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-phenylethenyl)phenyl]methoxy]cyclohexan-1-amine?
The IUPAC name of 2-[[4-(2-phenylethenyl)phenyl]methoxy]cyclohexan-1-amine (CID 54376655) is 2-[[4-(2-phenylethenyl)phenyl]methoxy]cyclohexan-1-amine.
What is the SMILES notation for 2-[[4-(2-phenylethenyl)phenyl]methoxy]cyclohexan-1-amine?
The canonical SMILES for 2-[[4-(2-phenylethenyl)phenyl]methoxy]cyclohexan-1-amine is NC1CCCCC1OCc1ccc(C=Cc2ccccc2)cc1.
What is the InChIKey of 2-[[4-(2-phenylethenyl)phenyl]methoxy]cyclohexan-1-amine?
The InChIKey is UWZDYYDUNZPTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c22-20-8-4-5-9-21(20)23-16-19-14-12-18(13-15-19)11-10-17-6-2-1-3-7-17/h1-3,6-7,10-15,20-21H,4-5,8-9,16,22H2.
What are the key properties of 2-[[4-(2-phenylethenyl)phenyl]methoxy]cyclohexan-1-amine?
2-[[4-(2-phenylethenyl)phenyl]methoxy]cyclohexan-1-amine has a molecular weight of 307.44 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-phenylethenyl)phenyl]methoxy]cyclohexan-1-amine is sourced from PubChem (CID 54376655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).