5-[3-(4-ethylphenyl)-2-phenylpropyl]cyclohexa-1,3-dien-1-amine

C23H27N — CID 70262358

IUPAC5-[3-(4-ethylphenyl)-2-phenylpropyl]cyclohexa-1,3-dien-1-amine
SMILESCCc1ccc(CC(CC2C=CC=C(N)C2)c2ccccc2)cc1
InChIInChI=1S/C23H27N/c1-2-18-11-13-19(14-12-18)15-22(21-8-4-3-5-9-21)16-20-7-6-10-23(24)17-20/h3-14,20,22H,2,15-17,24H2,1H3
InChIKeyHHCJHCCIAQIIDC-UHFFFAOYSA-N
MW317.48 g/mol
LogP5.38
Rot. Bonds6

About 5-[3-(4-ethylphenyl)-2-phenylpropyl]cyclohexa-1,3-dien-1-amine

5-[3-(4-ethylphenyl)-2-phenylpropyl]cyclohexa-1,3-dien-1-amine (PubChem CID 70262358) has the molecular formula C23H27N and a molecular weight of 317.48 g/mol. Its IUPAC name is 5-[3-(4-ethylphenyl)-2-phenylpropyl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-[3-(4-ethylphenyl)-2-phenylpropyl]cyclohexa-1,3-dien-1-amine
PubChem CID70262358
Molecular FormulaC23H27N
Molecular Weight317.48 g/mol
Exact Mass317.21
IUPAC Name5-[3-(4-ethylphenyl)-2-phenylpropyl]cyclohexa-1,3-dien-1-amine
SMILESCCc1ccc(CC(CC2C=CC=C(N)C2)c2ccccc2)cc1
InChIInChI=1S/C23H27N/c1-2-18-11-13-19(14-12-18)15-22(21-8-4-3-5-9-21)16-20-7-6-10-23(24)17-20/h3-14,20,22H,2,15-17,24H2,1H3
InChIKeyHHCJHCCIAQIIDC-UHFFFAOYSA-N
XLogP5.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.48
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-ethylphenyl)-2-phenylpropyl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-[3-(4-ethylphenyl)-2-phenylpropyl]cyclohexa-1,3-dien-1-amine (CID 70262358) is 5-[3-(4-ethylphenyl)-2-phenylpropyl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-[3-(4-ethylphenyl)-2-phenylpropyl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-[3-(4-ethylphenyl)-2-phenylpropyl]cyclohexa-1,3-dien-1-amine is CCc1ccc(CC(CC2C=CC=C(N)C2)c2ccccc2)cc1.
What is the InChIKey of 5-[3-(4-ethylphenyl)-2-phenylpropyl]cyclohexa-1,3-dien-1-amine?
The InChIKey is HHCJHCCIAQIIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N/c1-2-18-11-13-19(14-12-18)15-22(21-8-4-3-5-9-21)16-20-7-6-10-23(24)17-20/h3-14,20,22H,2,15-17,24H2,1H3.
What are the key properties of 5-[3-(4-ethylphenyl)-2-phenylpropyl]cyclohexa-1,3-dien-1-amine?
5-[3-(4-ethylphenyl)-2-phenylpropyl]cyclohexa-1,3-dien-1-amine has a molecular weight of 317.48 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-ethylphenyl)-2-phenylpropyl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 70262358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).