1-ethyl-6-(4-phenoxyphenyl)cyclohexa-2,4-dien-1-amine

C20H21NO — CID 67767573

IUPAC1-ethyl-6-(4-phenoxyphenyl)cyclohexa-2,4-dien-1-amine
SMILESCCC1(N)C=CC=CC1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H21NO/c1-2-20(21)15-7-6-10-19(20)16-11-13-18(14-12-16)22-17-8-4-3-5-9-17/h3-15,19H,2,21H2,1H3
InChIKeyDKAVZSYNYANVLT-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.80
Rot. Bonds4

About 1-ethyl-6-(4-phenoxyphenyl)cyclohexa-2,4-dien-1-amine

1-ethyl-6-(4-phenoxyphenyl)cyclohexa-2,4-dien-1-amine (PubChem CID 67767573) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-ethyl-6-(4-phenoxyphenyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-ethyl-6-(4-phenoxyphenyl)cyclohexa-2,4-dien-1-amine
PubChem CID67767573
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1-ethyl-6-(4-phenoxyphenyl)cyclohexa-2,4-dien-1-amine
SMILESCCC1(N)C=CC=CC1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H21NO/c1-2-20(21)15-7-6-10-19(20)16-11-13-18(14-12-16)22-17-8-4-3-5-9-17/h3-15,19H,2,21H2,1H3
InChIKeyDKAVZSYNYANVLT-UHFFFAOYSA-N
XLogP4.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-6-(4-phenoxyphenyl)cyclohexa-2,4-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(4-phenoxyphenyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-ethyl-6-(4-phenoxyphenyl)cyclohexa-2,4-dien-1-amine (CID 67767573) is 1-ethyl-6-(4-phenoxyphenyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-ethyl-6-(4-phenoxyphenyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-ethyl-6-(4-phenoxyphenyl)cyclohexa-2,4-dien-1-amine is CCC1(N)C=CC=CC1c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-ethyl-6-(4-phenoxyphenyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is DKAVZSYNYANVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-2-20(21)15-7-6-10-19(20)16-11-13-18(14-12-16)22-17-8-4-3-5-9-17/h3-15,19H,2,21H2,1H3.
What are the key properties of 1-ethyl-6-(4-phenoxyphenyl)cyclohexa-2,4-dien-1-amine?
1-ethyl-6-(4-phenoxyphenyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 291.39 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(4-phenoxyphenyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 67767573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).