2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine

C23H29N — CID 89089279

IUPAC2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(/C=C/c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C23H29N/c1-23(2,24)22-16-12-19(13-17-22)9-8-18-10-14-21(15-11-18)20-6-4-3-5-7-20/h8-17,20H,3-7,24H2,1-2H3/b9-8+
InChIKeyDUSQYESYZYWIAL-CMDGGOBGSA-N
MW319.49 g/mol
LogP6.10
Rot. Bonds4

About 2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine

2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine (PubChem CID 89089279) has the molecular formula C23H29N and a molecular weight of 319.49 g/mol. Its IUPAC name is 2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine
PubChem CID89089279
Molecular FormulaC23H29N
Molecular Weight319.49 g/mol
Exact Mass319.23
IUPAC Name2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(/C=C/c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C23H29N/c1-23(2,24)22-16-12-19(13-17-22)9-8-18-10-14-21(15-11-18)20-6-4-3-5-7-20/h8-17,20H,3-7,24H2,1-2H3/b9-8+
InChIKeyDUSQYESYZYWIAL-CMDGGOBGSA-N
XLogP6.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117335176
1-cyclohexyl-4-[4-(4-cyclopentylphenyl)buta-1,3-dienyl]benzene
CID 173393354
4-[(E)-2-(4-cyclohexylphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]aniline
CID 59838926
2-[4-(thietan-3-yl)phenyl]propan-2-amine
CID 117296889
(E)-4-(4-cyclohexylphenyl)but-3-en-2-one
CID 124662300
1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 24843348
1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene
CID 63432566
3-(4-cyclohexylphenyl)-3-methylbutan-2-one
CID 82294466
4-cycloheptylbenzaldehyde
CID 21484445
1-cyclohexyl-4-ethenylbenzene
CID 21225537
(4-ethenylphenyl)cyclooctane
CID 19849973
4-cyclooctylbenzaldehyde
CID 12923818

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine?
The IUPAC name of 2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine (CID 89089279) is 2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine.
What is the SMILES notation for 2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine?
The canonical SMILES for 2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine is CC(C)(N)c1ccc(/C=C/c2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of 2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine?
The InChIKey is DUSQYESYZYWIAL-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H29N/c1-23(2,24)22-16-12-19(13-17-22)9-8-18-10-14-21(15-11-18)20-6-4-3-5-7-20/h8-17,20H,3-7,24H2,1-2H3/b9-8+.
What are the key properties of 2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine?
2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine has a molecular weight of 319.49 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine is sourced from PubChem (CID 89089279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).