4-[(E)-1-(2,6-dimethylphenyl)prop-1-en-2-yl]-3,5-dimethylaniline

C19H23N — CID 19977278

IUPAC4-[(E)-1-(2,6-dimethylphenyl)prop-1-en-2-yl]-3,5-dimethylaniline
SMILESC/C(=C\c1c(C)cccc1C)c1c(C)cc(N)cc1C
InChIInChI=1S/C19H23N/c1-12-7-6-8-13(2)18(12)11-16(5)19-14(3)9-17(20)10-15(19)4/h6-11H,20H2,1-5H3/b16-11+
InChIKeyIDDMYZVDDUZTBH-LFIBNONCSA-N
MW265.40 g/mol
LogP5.06
Rot. Bonds2

About 4-[(E)-1-(2,6-dimethylphenyl)prop-1-en-2-yl]-3,5-dimethylaniline

4-[(E)-1-(2,6-dimethylphenyl)prop-1-en-2-yl]-3,5-dimethylaniline (PubChem CID 19977278) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[(E)-1-(2,6-dimethylphenyl)prop-1-en-2-yl]-3,5-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-1-(2,6-dimethylphenyl)prop-1-en-2-yl]-3,5-dimethylaniline
PubChem CID19977278
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name4-[(E)-1-(2,6-dimethylphenyl)prop-1-en-2-yl]-3,5-dimethylaniline
SMILESC/C(=C\c1c(C)cccc1C)c1c(C)cc(N)cc1C
InChIInChI=1S/C19H23N/c1-12-7-6-8-13(2)18(12)11-16(5)19-14(3)9-17(20)10-15(19)4/h6-11H,20H2,1-5H3/b16-11+
InChIKeyIDDMYZVDDUZTBH-LFIBNONCSA-N
XLogP5.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-(2,6-dimethylphenyl)prop-1-en-2-yl]-3,5-dimethylaniline?
The IUPAC name of 4-[(E)-1-(2,6-dimethylphenyl)prop-1-en-2-yl]-3,5-dimethylaniline (CID 19977278) is 4-[(E)-1-(2,6-dimethylphenyl)prop-1-en-2-yl]-3,5-dimethylaniline.
What is the SMILES notation for 4-[(E)-1-(2,6-dimethylphenyl)prop-1-en-2-yl]-3,5-dimethylaniline?
The canonical SMILES for 4-[(E)-1-(2,6-dimethylphenyl)prop-1-en-2-yl]-3,5-dimethylaniline is C/C(=C\c1c(C)cccc1C)c1c(C)cc(N)cc1C.
What is the InChIKey of 4-[(E)-1-(2,6-dimethylphenyl)prop-1-en-2-yl]-3,5-dimethylaniline?
The InChIKey is IDDMYZVDDUZTBH-LFIBNONCSA-N. The full InChI is InChI=1S/C19H23N/c1-12-7-6-8-13(2)18(12)11-16(5)19-14(3)9-17(20)10-15(19)4/h6-11H,20H2,1-5H3/b16-11+.
What are the key properties of 4-[(E)-1-(2,6-dimethylphenyl)prop-1-en-2-yl]-3,5-dimethylaniline?
4-[(E)-1-(2,6-dimethylphenyl)prop-1-en-2-yl]-3,5-dimethylaniline has a molecular weight of 265.40 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-(2,6-dimethylphenyl)prop-1-en-2-yl]-3,5-dimethylaniline is sourced from PubChem (CID 19977278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).