8-(4-ethenylphenyl)-4-methyl-3H-1-benzazepin-2-amine

C19H18N2 — CID 129058561

IUPAC8-(4-ethenylphenyl)-4-methyl-3H-1-benzazepin-2-amine
SMILESC=Cc1ccc(-c2ccc3c(c2)N=C(N)CC(C)=C3)cc1
InChIInChI=1S/C19H18N2/c1-3-14-4-6-15(7-5-14)16-8-9-17-10-13(2)11-19(20)21-18(17)12-16/h3-10,12H,1,11H2,2H3,(H2,20,21)
InChIKeyCJRJKBUNHYRBKR-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.79
Rot. Bonds2

About 8-(4-ethenylphenyl)-4-methyl-3H-1-benzazepin-2-amine

8-(4-ethenylphenyl)-4-methyl-3H-1-benzazepin-2-amine (PubChem CID 129058561) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 8-(4-ethenylphenyl)-4-methyl-3H-1-benzazepin-2-amine.

Molecular Properties

Compound Name8-(4-ethenylphenyl)-4-methyl-3H-1-benzazepin-2-amine
PubChem CID129058561
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name8-(4-ethenylphenyl)-4-methyl-3H-1-benzazepin-2-amine
SMILESC=Cc1ccc(-c2ccc3c(c2)N=C(N)CC(C)=C3)cc1
InChIInChI=1S/C19H18N2/c1-3-14-4-6-15(7-5-14)16-8-9-17-10-13(2)11-19(20)21-18(17)12-16/h3-10,12H,1,11H2,2H3,(H2,20,21)
InChIKeyCJRJKBUNHYRBKR-UHFFFAOYSA-N
XLogP4.79
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(4-ethenylphenyl)-4-methyl-3H-1-benzazepin-2-amine?
The IUPAC name of 8-(4-ethenylphenyl)-4-methyl-3H-1-benzazepin-2-amine (CID 129058561) is 8-(4-ethenylphenyl)-4-methyl-3H-1-benzazepin-2-amine.
What is the SMILES notation for 8-(4-ethenylphenyl)-4-methyl-3H-1-benzazepin-2-amine?
The canonical SMILES for 8-(4-ethenylphenyl)-4-methyl-3H-1-benzazepin-2-amine is C=Cc1ccc(-c2ccc3c(c2)N=C(N)CC(C)=C3)cc1.
What is the InChIKey of 8-(4-ethenylphenyl)-4-methyl-3H-1-benzazepin-2-amine?
The InChIKey is CJRJKBUNHYRBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-3-14-4-6-15(7-5-14)16-8-9-17-10-13(2)11-19(20)21-18(17)12-16/h3-10,12H,1,11H2,2H3,(H2,20,21).
What are the key properties of 8-(4-ethenylphenyl)-4-methyl-3H-1-benzazepin-2-amine?
8-(4-ethenylphenyl)-4-methyl-3H-1-benzazepin-2-amine has a molecular weight of 274.37 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethenylphenyl)-4-methyl-3H-1-benzazepin-2-amine is sourced from PubChem (CID 129058561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).