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

C19H21N — CID 25101033

IUPAC(E)-3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]prop-2-en-1-amine
SMILESCc1cccc(C)c1/C=C/c1cccc(/C=C/CN)c1
InChIInChI=1S/C19H21N/c1-15-6-3-7-16(2)19(15)12-11-18-9-4-8-17(14-18)10-5-13-20/h3-12,14H,13,20H2,1-2H3/b10-5+,12-11+
InChIKeyAFAKLPFUAPIXGQ-WKWSCTOISA-N
MW263.38 g/mol
LogP4.45
Rot. Bonds4

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

(E)-3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]prop-2-en-1-amine (PubChem CID 25101033) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is (E)-3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]prop-2-en-1-amine
PubChem CID25101033
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name(E)-3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]prop-2-en-1-amine
SMILESCc1cccc(C)c1/C=C/c1cccc(/C=C/CN)c1
InChIInChI=1S/C19H21N/c1-15-6-3-7-16(2)19(15)12-11-18-9-4-8-17(14-18)10-5-13-20/h3-12,14H,13,20H2,1-2H3/b10-5+,12-11+
InChIKeyAFAKLPFUAPIXGQ-WKWSCTOISA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.45
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 (E)-3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]prop-2-en-1-amine (CID 25101033) is (E)-3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]prop-2-en-1-amine is Cc1cccc(C)c1/C=C/c1cccc(/C=C/CN)c1.
What is the InChIKey of (E)-3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]prop-2-en-1-amine?
The InChIKey is AFAKLPFUAPIXGQ-WKWSCTOISA-N. The full InChI is InChI=1S/C19H21N/c1-15-6-3-7-16(2)19(15)12-11-18-9-4-8-17(14-18)10-5-13-20/h3-12,14H,13,20H2,1-2H3/b10-5+,12-11+.
What are the key properties of (E)-3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]prop-2-en-1-amine?
(E)-3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]prop-2-en-1-amine has a molecular weight of 263.38 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[(E)-2-(2,6-dimethylphenyl)ethenyl]phenyl]prop-2-en-1-amine is sourced from PubChem (CID 25101033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).