3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propan-1-amine

C19H23N — CID 25100103

IUPAC3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propan-1-amine
SMILESCc1cccc(C)c1/C=C/c1cccc(CCCN)c1
InChIInChI=1S/C19H23N/c1-15-6-3-7-16(2)19(15)12-11-18-9-4-8-17(14-18)10-5-13-20/h3-4,6-9,11-12,14H,5,10,13,20H2,1-2H3/b12-11+
InChIKeyACKOXNPHOJJOLZ-VAWYXSNFSA-N
MW265.40 g/mol
LogP4.37
Rot. Bonds5

About 3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propan-1-amine

3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propan-1-amine (PubChem CID 25100103) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propan-1-amine
PubChem CID25100103
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propan-1-amine
SMILESCc1cccc(C)c1/C=C/c1cccc(CCCN)c1
InChIInChI=1S/C19H23N/c1-15-6-3-7-16(2)19(15)12-11-18-9-4-8-17(14-18)10-5-13-20/h3-4,6-9,11-12,14H,5,10,13,20H2,1-2H3/b12-11+
InChIKeyACKOXNPHOJJOLZ-VAWYXSNFSA-N
XLogP4.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propan-1-amine?
The IUPAC name of 3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propan-1-amine (CID 25100103) is 3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propan-1-amine?
The canonical SMILES for 3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propan-1-amine is Cc1cccc(C)c1/C=C/c1cccc(CCCN)c1.
What is the InChIKey of 3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propan-1-amine?
The InChIKey is ACKOXNPHOJJOLZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H23N/c1-15-6-3-7-16(2)19(15)12-11-18-9-4-8-17(14-18)10-5-13-20/h3-4,6-9,11-12,14H,5,10,13,20H2,1-2H3/b12-11+.
What are the key properties of 3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propan-1-amine?
3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propan-1-amine is sourced from PubChem (CID 25100103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).